NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8661 8.3393 109.7360 45.2999 0.0000 174.0991 2 S 3.9151 8.0079 114.4745 57.2019 62.7951 172.2694 3 S 4.5184 8.1481 117.3317 57.5619 65.9945 176.9305 4 G 4.2003 8.0134 106.9606 45.2438 0.0000 171.5204 5 S 4.6060 8.2341 119.2598 56.8953 66.9217 173.5552 6 S 4.8546 8.2345 118.0538 57.0638 65.7964 174.2215 7 G 4.0888 7.9871 105.4573 45.3202 0.0000 173.4789 8 M 4.6835 8.1171 113.7848 54.1320 32.9263 175.3061 9 A 4.2691 7.9372 121.6652 51.5840 18.5296 177.2021 10 L 3.9787 7.9364 122.2057 54.8107 43.5347 176.4064 11 L 4.3553 8.2284 125.3698 54.6487 43.2455 175.5011 12 C 4.8926 9.4221 127.6858 59.2617 33.0127 172.9022 13 Y 4.9454 8.9434 122.7308 58.0175 38.4388 175.2767 14 N 4.7514 7.9804 116.3155 50.9121 40.9546 174.7690 15 R 4.0797 8.6081 121.7571 58.4502 30.4633 176.8837 16 G 4.0314 9.0603 111.1899 45.3375 0.0000 172.5632 17 C 4.2458 8.2019 118.9907 57.9103 33.1613 173.9438 18 G 4.2330 7.8220 105.8051 46.0844 0.0000 172.1630 19 Q 4.6091 7.4475 117.2903 53.8029 31.8230 175.3592 20 R 4.7664 8.3586 120.1782 56.1870 31.5758 175.3669 21 F 4.5871 7.9462 113.4200 56.8545 41.6945 172.3472 22 D 5.0447 8.2775 119.3184 52.0190 42.1248 176.0666 23 P 4.3885 0.0000 0.0000 65.8256 31.6694 178.1243 24 E 4.2277 8.2129 114.9564 57.5904 29.5887 177.0124 25 T 4.5167 7.3066 106.8720 61.2761 70.8764 173.9875 26 N 4.3483 8.4470 121.3104 54.5523 39.6195 173.5088 27 S 4.9174 8.2145 118.5519 56.7858 67.3450 174.6281 28 D 4.5489 8.6950 120.8046 55.2588 39.1654 176.4488 29 D 4.6862 7.7736 119.3540 53.4963 39.7873 175.7145 30 A 4.6948 8.0709 121.0508 52.5383 21.5880 176.6794 31 C 4.4087 8.1535 116.6546 57.6662 34.2888 172.9250 32 T 5.5581 8.7733 122.5678 61.3276 70.4854 172.1107 33 Y 4.6827 7.6995 124.7725 55.2470 42.4114 173.5750 34 H 4.6383 8.9257 116.7811 53.2470 30.3904 173.5765 35 P 4.7105 0.0000 0.0000 63.6848 31.9565 177.3965 36 G 4.4301 7.4629 108.9657 46.2879 0.0000 173.6528 37 V 5.1967 8.4887 114.6882 58.6995 36.7193 173.2471 38 P 3.6659 0.0000 0.0000 62.4705 31.6831 175.9083 39 V 3.6674 8.2398 124.2235 59.4762 34.8687 175.0806 40 F 5.3394 7.9253 119.9637 56.0020 41.4077 173.0611 41 H 4.8731 8.4759 119.0280 54.6215 30.6559 174.2704 42 D 4.3616 9.6804 122.7010 55.4912 38.2665 174.1748 43 A 3.6038 8.0972 117.6682 52.6034 16.7651 177.9105 44 L 4.8149 8.0126 118.7317 53.4887 41.2708 175.3669 45 K 4.7305 8.7871 124.7661 55.8464 33.0258 175.3980 46 G 4.2393 9.2333 115.9240 45.3797 0.0000 171.2766 47 W 6.2208 8.7238 120.6247 54.1276 33.8761 175.6207 48 S 4.6090 9.0014 116.6404 59.2815 61.7270 174.1933 49 C 4.4039 8.1555 114.6670 59.5763 30.3296 172.9044 50 C 4.9354 7.7907 112.2811 55.7867 32.0023 173.2502 51 K 4.2991 8.3908 117.0214 56.7188 32.2359 177.5860 52 R 4.0061 7.7978 119.4420 56.8003 30.3968 175.5652 53 R 4.6833 8.2399 123.4377 55.5208 33.3614 173.7691 54 T 4.7947 8.6005 119.0628 60.6614 70.6128 174.0132 55 T 4.5568 8.3768 113.8463 61.1990 70.1233 174.2622 56 D 4.6095 7.9130 123.0082 53.2490 40.5035 176.2093 57 F 4.1041 8.8975 130.1798 61.4636 38.9261 177.1908 58 S 3.8764 7.8903 112.5078 61.4484 62.3176 175.6942 59 D 4.3832 8.3143 121.9371 57.2861 40.2106 178.3798 60 F 4.2263 7.6761 118.3799 61.5907 39.1931 176.8216 61 L 3.7584 7.4276 114.4720 55.9470 41.5527 178.0128 62 S 4.6776 7.1438 112.3687 58.5683 63.2292 172.6918 63 I 3.5855 7.9176 122.9387 60.4320 36.0558 175.6417 64 V 3.6065 8.2953 125.7624 61.0763 31.7293 176.4446 65 G 3.2478 8.5852 111.2415 45.4036 0.0000 172.8299 66 C 4.2978 7.9931 115.2272 58.3038 30.9352 173.3554 67 T 4.5054 7.0356 116.8309 61.6778 71.4036 173.2407 68 K 4.8860 7.8553 121.2073 54.9175 35.6403 177.0515 69 G 4.5542 8.1713 108.3187 47.0680 0.0000 171.4031 70 R 5.6561 8.5755 121.0066 53.8344 31.7461 176.0997 71 H 3.3814 8.2499 120.2621 56.1947 29.3714 174.6404 72 N 4.5953 8.3936 120.2869 52.2152 38.2760 175.4492 73 S 5.5256 8.7424 116.6947 58.0831 63.4586 173.8141 74 E 4.4585 7.7941 119.2035 54.3696 33.1656 175.5481 75 K 3.9543 7.8370 120.0078 56.7487 32.0276 177.0269 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 G 8.34 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.01 3.92 0.00 4.06 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 3 S 8.15 4.52 0.00 3.93 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 4 G 8.01 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 5 S 8.23 4.61 0.00 3.79 3.70 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 6 S 8.23 4.85 0.00 3.89 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 7 G 7.99 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 8 M 8.12 4.68 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 9 A 7.94 4.27 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.98 0.00 0.27 1.28 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.23 4.36 0.00 1.65 1.40 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 12 C 9.42 4.89 0.00 3.25 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 4.95 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.98 4.75 0.00 2.44 2.19 0.00 0.00 6.42 7.28 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 15 R 8.61 4.08 0.00 1.89 1.95 0.00 3.52 0.00 0.00 3.77 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 16 G 9.06 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 17 C 8.20 4.25 0.00 2.89 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 18 G 7.82 4.23 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 0.00 19 Q 7.45 4.61 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 20 R 8.36 4.77 0.00 1.65 1.78 0.00 3.42 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 21 F 7.95 4.59 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 22 D 8.28 5.04 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.25 2.34 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.88 0.00 24 E 8.21 4.23 0.00 2.11 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 0.00 2.27 2.30 0.00 25 T 7.31 4.52 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 1.23 0.00 0.00 26 N 8.45 4.35 0.00 3.18 2.98 0.00 0.00 6.94 7.63 0.00 0.00 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 8.21 4.92 0.00 3.91 3.75 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 28 D 8.69 4.55 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.69 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.69 1.28 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 31 C 8.15 4.41 0.00 2.15 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 5.56 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 1.07 0.00 0.00 33 Y 7.70 4.68 0.00 3.00 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 34 H 8.93 4.64 0.00 1.91 2.59 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.71 0.00 2.18 2.14 0.00 3.52 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 36 G 7.46 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 0.00 0.00 0.00 0.00 37 V 8.49 5.20 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 0.92 0.00 0.00 0.97 0.00 0.00 38 P 0.00 3.67 0.00 1.82 1.41 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 1.83 1.93 0.00 39 V 8.24 3.67 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 0.72 0.00 0.00 0.81 0.00 0.00 40 F 7.93 5.34 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.48 4.87 0.00 3.34 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.68 4.36 0.00 2.90 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 43 A 8.10 3.60 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.81 0.00 1.63 1.67 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.79 4.73 0.00 1.72 1.25 0.00 1.59 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 46 G 9.23 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 0.00 0.00 0.00 0.00 47 W 8.72 6.22 0.00 3.16 3.07 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 48 S 9.00 4.61 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.40 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.79 4.94 0.00 3.08 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 51 K 8.39 4.30 0.00 1.79 1.92 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 52 R 7.80 4.01 0.00 1.79 1.93 0.00 3.33 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 53 R 8.24 4.68 0.00 1.82 1.81 0.00 3.31 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 54 T 8.60 4.79 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 1.46 0.00 0.00 55 T 8.38 4.56 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 1.27 0.00 0.00 56 D 7.91 4.61 0.00 2.81 2.78 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 57 F 8.90 4.10 0.00 3.07 3.11 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 58 S 7.89 3.88 0.00 3.79 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 59 D 8.31 4.38 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.68 4.23 0.00 3.25 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 61 L 7.43 3.76 0.00 1.53 1.61 0.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.14 4.68 0.00 4.02 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 63 I 7.92 3.59 1.98 0.00 0.00 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 1.43 0.97 0.92 0.00 0.00 64 V 8.30 3.61 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 0.62 0.00 0.00 0.85 0.00 0.00 65 G 8.59 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 0.00 0.00 0.00 66 C 7.99 4.30 0.00 3.01 3.01 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 67 T 7.04 4.51 3.60 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 0.89 0.00 0.00 68 K 7.86 4.89 0.00 1.49 1.77 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.27 7.81 69 G 8.17 4.55 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 0.00 0.00 0.00 70 R 8.58 5.66 0.00 1.61 1.90 0.00 3.30 0.00 0.00 3.88 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 71 H 8.25 3.38 0.00 1.40 1.80 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.39 4.60 0.00 2.82 2.94 0.00 0.00 6.73 7.28 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 73 S 8.74 5.53 0.00 4.14 4.29 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 74 E 7.79 4.46 0.00 1.89 1.72 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 2.21 2.23 0.00 75 K 7.84 3.95 0.00 1.46 1.59 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 0.21 7.81