NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4873 0.0000 0.0000 62.3983 33.6106 175.0870 2 I 4.7331 8.2552 123.0095 59.2469 40.3582 172.8368 3 A 4.7630 9.2264 130.1089 50.0067 22.1325 174.6441 4 Q 4.8228 8.6758 122.5936 54.4939 31.4501 174.3514 5 I 4.4423 8.6413 128.2732 60.0081 39.5875 174.5602 6 H 5.2165 8.8348 124.3848 54.2744 29.9232 174.2232 7 I 4.5915 8.3999 116.9504 58.5141 41.0889 174.9767 8 L 4.6286 8.3097 123.6545 54.2804 42.0782 176.8773 9 E 3.9846 9.2123 121.8549 57.2904 30.0989 176.5599 10 G 3.3356 8.7483 112.6541 45.6382 0.0000 174.3195 11 R 4.3509 7.5289 119.7599 55.4907 31.2514 176.5229 12 S 4.5752 8.4452 115.1806 57.6512 65.6664 175.1472 13 D 4.3598 8.4384 121.6880 57.5964 40.5346 178.9413 14 E 4.0002 8.0907 118.6748 59.3905 29.5062 179.2327 15 Q 4.0139 7.8318 118.0737 58.8795 28.7897 178.8027 16 K 4.0853 8.1227 119.4225 58.9461 32.1464 179.0805 17 E 3.9839 8.3693 120.0217 59.3123 29.5028 179.0365 18 T 3.8634 7.9566 115.9984 66.3793 68.5552 176.3474 19 L 3.9311 7.8459 122.2775 58.4615 41.8363 179.1734 20 I 3.7132 7.7931 119.5635 64.1518 36.9707 178.5622 21 R 3.9050 7.7609 119.1238 59.3836 30.0149 178.1344 22 E 3.8976 8.5062 118.7462 59.7150 29.5958 179.6581 23 V 3.6064 7.9208 117.9401 66.1708 31.6418 178.2724 24 S 4.1649 7.8470 114.8243 61.4152 62.5758 176.5298 25 E 3.9719 8.2487 121.1598 59.2279 29.2976 178.8644 26 A 4.0308 8.1067 120.8510 55.3815 18.3492 179.8868 27 I 3.6474 7.7354 117.9881 64.4012 37.2612 178.3520 28 S 4.1652 7.8655 113.7797 61.6573 62.4044 176.5923 29 R 4.0079 8.4303 118.9893 59.2977 29.0521 178.8825 30 S 4.2676 8.0277 115.2657 60.4117 62.9104 175.4806 31 L 4.5318 7.7009 118.3920 53.1266 42.3171 175.6132 32 D 4.3300 7.4520 115.9752 55.0918 40.2461 172.8454 33 A 4.7221 7.7003 118.8529 48.8914 21.0901 176.1063 34 P 4.2998 0.0000 0.0000 62.5732 32.0652 176.9994 35 L 3.9147 8.8756 124.9520 58.3853 42.0116 178.9841 36 T 3.9880 7.9111 107.2267 63.8840 68.6774 174.8676 37 S 4.3928 8.0128 116.0456 59.2511 63.8207 174.5856 38 V 4.0061 7.4772 122.3909 62.8917 32.0314 175.4759 39 R 4.6484 8.8409 126.2472 54.4238 33.2611 174.4826 40 V 4.8763 8.5283 123.4982 61.0902 34.4573 174.6764 41 I 4.5918 8.6274 126.7216 59.6735 40.5826 174.2259 42 I 4.7053 8.4290 127.7869 60.0731 39.0766 175.3253 43 T 4.5108 8.6906 122.8417 61.7922 71.5544 173.0712 44 E 4.8466 8.8385 126.1892 55.8864 31.1228 175.7692 45 M 4.8575 8.9265 122.5615 53.2091 35.3296 175.4075 46 A 4.7387 8.4405 124.2738 51.0962 19.4665 178.6545 47 K 4.1048 9.5080 120.9412 59.1465 32.3668 178.8568 48 G 4.1959 8.0108 105.3537 45.6266 0.0000 173.4602 49 H 4.9596 8.7636 114.8450 54.9266 29.7845 173.3629 50 F 5.0675 8.1876 122.6296 56.2931 41.3995 173.6986 51 G 4.1543 8.3317 116.6260 43.6548 0.0000 172.7429 52 I 4.0174 8.2058 123.1971 60.0894 39.4364 176.0177 53 G 3.8319 9.2316 113.0534 46.0184 0.0000 173.1459 54 G 3.9948 8.3322 108.6606 44.9760 0.0000 174.2630 55 E 4.4818 7.5758 119.0291 54.6808 31.0613 175.8495 56 L 4.4664 8.0992 120.6982 54.3806 42.5200 178.3118 57 A 4.0485 8.8526 125.8418 55.3367 18.5721 179.6147 58 S 4.2830 7.9587 110.0455 60.1962 63.3020 174.5038 59 K 4.1733 7.6742 124.2159 56.6550 32.3612 175.6469 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.26 4.73 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 1.27 0.71 0.91 0.00 0.00 3 A 9.23 4.76 1.21 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 0.00 0.00 4 Q 8.68 4.82 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.66 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 5 I 8.64 4.44 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.89 0.00 0.00 6 H 8.83 5.22 0.00 2.93 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.59 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.86 0.00 0.00 8 L 8.31 4.63 0.00 1.51 1.62 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.21 3.98 0.00 1.99 2.18 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 2.29 2.28 0.00 10 G 8.75 3.34 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 0.00 11 R 7.53 4.35 0.00 1.80 1.97 0.00 3.35 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 1.61 1.54 0.00 12 S 8.45 4.58 0.00 4.22 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 13 D 8.44 4.36 0.00 2.78 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 14 E 8.09 4.00 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.83 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.12 4.09 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.37 3.98 0.00 2.18 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 0.00 2.30 2.34 0.00 18 T 7.96 3.86 4.46 0.00 0.00 0.00 0.00 0.00 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 19 L 7.85 3.93 0.00 1.86 1.85 0.91 1.14 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 20 I 7.79 3.71 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.90 0.00 0.00 21 R 7.76 3.91 0.00 1.88 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.51 3.90 0.00 1.96 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 2.50 2.47 0.00 23 V 7.92 3.61 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 24 S 7.85 4.16 0.00 4.18 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 25 E 8.25 3.97 0.00 2.18 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 2.32 2.32 0.00 26 A 8.11 4.03 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 27 I 7.74 3.65 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 1.41 0.76 0.91 0.00 0.00 28 S 7.87 4.17 0.00 4.03 4.01 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 29 R 8.43 4.01 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.03 4.27 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.53 0.00 1.61 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.45 4.33 0.00 2.87 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 33 A 7.70 4.72 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.72 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 2.07 1.96 0.00 35 L 8.88 3.91 0.00 1.74 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.91 3.99 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 37 S 8.01 4.39 0.00 3.97 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 38 V 7.48 4.01 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.84 4.65 0.00 1.74 1.77 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.88 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 0.85 0.00 0.00 0.92 0.00 0.00 41 I 8.63 4.59 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.88 0.00 0.00 42 I 8.43 4.71 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.69 4.51 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 1.13 0.00 0.00 44 E 8.84 4.85 0.00 1.82 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 2.25 2.30 0.00 45 M 8.93 4.86 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 46 A 8.44 4.74 1.09 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 47 K 9.51 4.10 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.55 7.81 48 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 49 H 8.76 4.96 0.00 3.34 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.07 0.00 2.97 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 51 G 8.33 4.15 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 0.00 52 I 8.21 4.02 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.05 0.83 0.00 0.00 53 G 9.23 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 54 G 8.33 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 0.00 0.00 0.00 55 E 7.58 4.48 0.00 1.91 1.83 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 2.24 2.38 0.00 56 L 8.10 4.47 0.00 1.75 1.59 0.92 0.83 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 57 A 8.85 4.05 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.28 0.00 3.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.17 0.00 1.82 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81