NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4399 8.3044 120.3280 54.9626 33.4138 174.3226 2 K 3.8922 8.5459 120.4556 56.9893 32.8564 175.8974 3 R 4.7731 8.0502 124.5061 55.0990 33.5336 175.0306 4 T 4.1877 8.4593 106.8148 62.5350 69.5867 174.1570 5 W 4.7683 8.1253 132.1784 56.1731 30.7044 175.2936 6 Q 4.2030 7.5131 125.8954 52.0723 28.2613 173.0627 7 P 3.1251 0.0000 0.0000 62.8908 32.3414 176.8548 8 N 4.4350 8.2343 118.7179 51.7744 40.6846 174.9998 9 R 3.9557 8.6497 128.2990 59.5728 30.2291 178.4176 10 R 3.8281 7.9805 117.3680 59.5392 30.1335 177.9719 11 K 3.8464 8.0821 118.6892 59.7550 32.0701 178.4863 12 R 3.9942 8.2110 118.5694 59.3013 30.0225 178.2785 13 A 4.1500 8.0650 120.4530 54.6725 18.4291 179.4107 14 K 3.8771 8.4103 117.8752 59.2474 32.2136 178.2311 15 T 4.3160 7.7271 114.2735 65.2606 69.4486 175.4197 16 H 4.7778 7.6012 114.4504 55.3096 29.1800 175.4882 17 G 4.4992 7.7301 109.3175 44.9535 0.0000 174.8508 18 F 3.9799 8.8560 120.4847 61.2865 39.4909 177.6142 19 R 4.1296 8.2944 117.0239 58.8220 29.6689 178.6142 20 A 3.9625 7.9670 119.6900 55.5028 18.3817 179.5858 21 R 3.9669 7.8918 116.1299 59.2204 29.2611 179.2286 22 M 3.9700 7.6335 119.0022 58.0885 31.6668 178.3455 23 R 4.1429 7.6900 118.3471 57.9623 30.6211 176.4114 24 T 4.6904 6.6739 108.1590 58.7227 71.5519 173.4939 25 P 4.3709 0.0000 0.0000 65.9860 31.2061 179.0366 26 G 3.7777 8.0583 105.3250 47.4428 0.0000 175.8816 27 G 3.6833 8.3624 109.6435 46.8623 0.0000 176.1653 28 R 3.9133 7.9863 120.3652 59.0143 30.0857 179.2167 29 K 4.0205 7.7406 117.0841 59.0353 32.0801 179.5114 30 V 3.5915 7.4155 118.9743 65.9140 31.4004 178.0057 31 L 3.9384 7.8905 118.6207 58.5936 41.5957 178.7661 32 K 3.6400 8.4889 115.8998 59.9401 32.0752 178.3421 33 R 3.7724 8.1718 116.5678 59.7963 30.6255 178.6605 34 R 4.0003 8.0939 116.8666 59.6755 29.9581 179.4483 35 R 3.9324 8.1968 116.9477 59.4310 30.2994 178.8158 36 Q 4.0909 8.4277 117.5822 58.2133 29.0486 177.1582 37 K 4.2972 8.2286 119.7256 56.7887 32.6638 176.0631 38 G 3.9852 8.5560 109.6669 47.1605 0.0000 175.4922 39 R 3.5242 7.1339 117.1039 54.4367 27.7893 175.8538 40 W 4.4394 9.0902 123.0420 58.9789 29.3259 176.6590 41 R 4.6662 7.8765 117.0503 54.2086 31.0015 175.8889 42 L 4.2088 8.7797 124.0152 57.2209 42.0247 177.3100 43 T 4.7348 7.4583 109.8506 58.9195 70.5804 170.9866 44 P 4.2476 0.0000 0.0000 62.8431 32.3875 176.8111 45 A 4.5328 8.0670 124.2521 50.6953 17.5763 177.1442 46 V 3.9900 7.5282 121.4659 62.3604 33.1118 175.7056 47 R 4.2779 7.8098 117.9965 56.3264 31.1335 174.5628 48 K 3.9345 8.7898 120.2696 56.3322 32.1622 176.7376 49 R 4.2224 8.1554 117.1216 56.5228 31.1339 175.2595 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 8.30 4.44 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.55 3.89 0.00 1.79 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 3 R 8.05 4.77 0.00 1.87 1.93 0.00 3.44 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 4 T 8.46 4.19 4.32 0.00 0.00 0.00 0.00 0.00 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 5 W 8.13 4.77 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.51 4.20 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 7 P 0.00 3.13 0.00 1.91 2.06 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.69 0.00 8 N 8.23 4.43 0.00 2.59 2.51 0.00 0.00 7.11 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 9 R 8.65 3.96 0.00 1.94 2.02 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 10 R 7.98 3.83 0.00 1.87 1.91 0.00 3.19 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.08 3.85 0.00 1.87 1.92 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.57 7.81 12 R 8.21 3.99 0.00 2.16 2.16 0.00 3.45 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 A 8.07 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.88 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 T 7.73 4.32 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 0.89 0.00 0.00 16 H 7.60 4.78 0.00 3.23 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.73 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.86 3.98 0.00 3.25 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 19 R 8.29 4.13 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 20 A 7.97 3.96 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 21 R 7.89 3.97 0.00 1.64 2.01 0.00 3.07 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 22 M 7.63 3.97 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 1.93 0.00 23 R 7.69 4.14 0.00 1.96 2.09 0.00 3.21 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 24 T 6.67 4.69 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 1.19 0.00 0.00 25 P 0.00 4.37 0.00 2.27 2.34 0.00 3.68 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 2.06 2.02 0.00 26 G 8.06 3.78 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 0.00 0.00 0.00 27 G 8.36 3.68 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 0.00 0.00 0.00 28 R 7.99 3.91 0.00 2.00 1.96 0.00 3.10 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 29 K 7.74 4.02 0.00 2.01 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 30 V 7.42 3.59 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 1.02 0.00 0.00 0.97 0.00 0.00 31 L 7.89 3.94 0.00 1.94 1.68 0.51 0.77 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 32 K 8.49 3.64 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 33 R 8.17 3.77 0.00 1.93 1.95 0.00 3.20 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 34 R 8.09 4.00 0.00 2.02 2.04 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 35 R 8.20 3.93 0.00 2.08 2.02 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 36 Q 8.43 4.09 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 37 K 8.23 4.30 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 G 8.56 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 39 R 7.13 3.52 0.00 2.05 2.26 0.00 3.38 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 40 W 9.09 4.44 0.00 3.31 3.27 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 0.00 41 R 7.88 4.67 0.00 1.84 1.92 0.00 3.26 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 42 L 8.78 4.21 0.00 1.78 1.82 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.46 4.73 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.25 0.00 2.15 2.06 0.00 3.94 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 2.09 2.12 0.00 45 A 8.07 4.53 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 46 V 7.53 3.99 2.14 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 0.95 0.00 0.00 1.04 0.00 0.00 47 R 7.81 4.28 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 48 K 8.79 3.93 0.00 1.92 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 49 R 8.16 4.22 0.00 1.77 1.73 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00