NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6470 8.3049 118.1950 54.5069 34.6244 174.1098 2 K 4.4256 8.0416 122.0281 56.6844 36.8136 175.5467 3 A 4.4814 10.0136 135.0000 54.1119 21.3940 179.9245 4 K 3.9583 8.1300 113.9994 58.8268 32.5880 177.3526 5 E 4.5116 7.3965 119.7627 53.4857 28.0110 174.8708 6 L 4.1872 8.4994 115.5950 54.8225 46.9099 175.6331 7 R 3.8199 8.8134 124.8939 57.9533 27.9659 176.9937 8 E 4.3824 7.6992 113.8143 55.3647 29.5386 173.9781 9 K 3.5076 8.2325 119.0612 57.5059 30.9084 174.3777 10 S 3.9949 8.6132 120.4637 61.6158 61.9842 175.7767 11 V 3.7412 7.7814 118.2918 65.0332 31.3445 177.3280 12 E 4.1160 8.8952 119.0860 60.1058 29.7197 178.4819 13 E 4.2878 7.8845 119.5069 59.0941 29.2637 179.8997 14 L 4.0393 7.8693 118.3281 57.6778 41.9643 177.6616 15 N 4.7544 8.2556 114.4985 54.0161 38.9258 175.7341 16 T 4.4225 7.5247 113.5212 65.4552 70.4647 177.1199 17 E 4.0353 8.0212 120.1427 58.9824 29.7853 179.0493 18 L 3.9132 7.5009 120.1342 57.3321 42.0890 177.5079 19 L 4.7359 8.4712 117.4231 54.5972 42.0879 176.6700 20 N 4.7043 8.1820 116.2161 55.3904 39.5391 176.3440 21 L 4.4396 7.7457 114.2046 54.9160 42.1273 179.0695 22 L 4.3603 7.5732 122.7784 54.6581 42.7717 177.6033 23 R 4.1883 8.8029 113.2529 59.4840 30.1652 177.6738 24 E 4.4210 8.1354 114.7413 57.0889 30.0247 176.7410 25 Q 4.3897 7.7330 117.9616 55.9700 31.3772 176.6996 26 F 4.0988 9.6093 120.6137 61.4451 39.5417 177.1658 27 N 4.1923 8.2952 115.4004 55.6712 38.3078 177.3279 28 L 3.9768 7.3400 119.2129 57.9849 41.9538 178.3443 29 R 4.2425 7.4861 114.5306 56.7622 29.6191 176.9463 30 M 4.3338 7.5515 117.7282 55.3453 32.5517 176.5636 31 Q 4.1020 7.8517 116.3572 56.0060 30.4731 177.0082 32 A 4.2283 7.9574 118.4081 53.2063 18.5382 177.2847 33 A 4.4821 8.0649 117.3937 54.0928 22.0490 178.3497 34 S 4.5147 7.7588 108.8044 57.9991 63.0243 175.1286 35 G 4.0283 7.4921 107.6163 46.9261 0.0000 173.1901 36 Q 4.4339 7.1148 114.4648 54.4932 33.0941 174.5457 37 L 3.3812 8.4978 120.4325 55.5906 39.6014 174.6216 38 Q 4.2136 8.4870 120.7036 56.1630 29.0034 176.9664 39 Q 4.1300 7.6752 117.6389 55.5986 27.6369 175.9165 40 S 4.2205 8.5332 120.5659 61.5918 63.3002 176.4664 41 H 4.3158 8.1720 114.8136 57.2258 27.7142 176.8170 42 L 3.8525 7.3790 123.4994 58.2803 42.1000 177.9691 43 L 4.0714 7.8476 117.5446 57.9022 41.4531 179.1048 44 K 4.0567 8.0523 118.4677 59.4752 32.2589 176.9161 45 Q 4.3290 8.3620 117.6475 55.8267 30.7774 176.7206 46 V 3.4236 8.2955 117.3248 63.6039 30.6615 171.7202 47 R 4.3440 7.3439 115.5424 56.4530 32.4470 177.6067 48 R 3.9590 6.1878 115.9270 59.7873 30.8992 177.8811 49 D 4.4324 8.1050 117.8700 57.0364 40.7858 178.7218 50 V 3.6580 9.0447 119.6507 65.3784 31.5349 177.2790 51 A 4.2356 7.9147 119.2268 53.6882 18.0713 178.6812 52 R 4.2605 7.8548 116.6070 57.4629 31.4062 178.3162 53 V 3.7622 7.7614 115.9045 64.8386 31.7313 176.5224 54 K 4.3510 7.8362 116.3691 58.6445 33.3324 178.1078 55 T 3.8529 7.7656 115.5214 67.0301 68.5445 176.4227 56 L 4.2361 7.7497 117.7407 56.0688 42.0959 178.0888 57 L 4.3620 8.3295 120.3072 56.0144 41.8704 177.5809 58 N 4.5977 7.9247 116.3170 56.0097 38.4970 176.3164 59 E 4.2586 8.0061 115.8696 57.2059 29.8701 176.2782 60 K 4.2104 7.3691 119.3865 56.9043 32.5262 177.2180 61 A 4.2189 7.4643 122.4246 52.1420 17.3324 178.4404 62 G 3.9942 10.4304 110.1990 46.2641 0.0000 171.7570 63 A 4.1237 7.4792 126.3021 52.7226 18.9749 175.8377 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 4.65 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 8.04 4.43 0.00 1.79 1.15 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 A 10.01 4.48 1.29 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 0.00 0.00 4 K 8.13 3.96 0.00 1.74 1.91 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.55 7.81 5 E 7.40 4.51 0.00 1.92 1.90 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 2.30 2.43 0.00 6 L 8.50 4.19 0.00 1.74 1.53 0.92 0.86 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 7 R 8.81 3.82 0.00 1.94 1.99 0.00 3.17 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 E 7.70 4.38 0.00 2.18 1.91 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 2.15 2.19 0.00 9 K 8.23 3.51 0.00 1.93 2.03 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 10 S 8.61 3.99 0.00 3.92 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 11 V 7.78 3.74 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.90 4.12 0.00 2.21 1.96 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 2.32 2.45 0.00 13 E 7.88 4.29 0.00 2.15 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 2.35 2.40 0.00 14 L 7.87 4.04 0.00 1.70 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.26 4.75 0.00 2.70 2.82 0.00 0.00 6.93 8.11 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 16 T 7.52 4.42 4.34 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 1.21 0.00 0.00 17 E 8.02 4.04 0.00 2.03 2.01 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 2.41 2.31 0.00 18 L 7.50 3.91 0.00 1.83 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.47 4.74 0.00 1.74 1.63 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.18 4.70 0.00 2.81 2.86 0.00 0.00 6.89 8.13 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 21 L 7.75 4.44 0.00 1.66 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.57 4.36 0.00 1.89 1.54 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.80 4.19 0.00 1.94 2.36 0.00 3.58 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 24 E 8.14 4.42 0.00 1.98 2.01 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 2.33 2.31 0.00 25 Q 7.73 4.39 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 F 9.61 4.10 0.00 3.04 3.12 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 0.00 0.00 0.00 27 N 8.30 4.19 0.00 3.10 2.87 0.00 0.00 6.78 6.61 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 28 L 7.34 3.98 0.00 1.73 1.67 0.96 0.87 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 29 R 7.49 4.24 0.00 1.92 1.82 0.00 3.18 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 30 M 7.55 4.33 0.00 1.98 1.60 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 31 Q 7.85 4.10 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 32 A 7.96 4.23 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 33 A 8.06 4.48 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 34 S 7.76 4.51 0.00 3.78 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 35 G 7.49 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 36 Q 7.11 4.43 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 6.08 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 37 L 8.50 3.38 0.00 2.07 1.64 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.49 4.21 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.25 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 39 Q 7.68 4.13 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 40 S 8.53 4.22 0.00 3.89 3.90 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 H 8.17 4.32 0.00 3.41 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.38 3.85 0.00 1.77 1.65 0.89 1.02 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 43 L 7.85 4.07 0.00 1.64 1.75 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.05 4.06 0.00 1.87 2.05 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 45 Q 8.36 4.33 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.86 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 46 V 8.30 3.42 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 0.86 0.00 0.00 1.05 0.00 0.00 47 R 7.34 4.34 0.00 2.04 1.77 0.00 3.19 0.00 0.00 3.17 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 6.19 3.96 0.00 1.83 1.99 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 49 D 8.11 4.43 0.00 2.69 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 50 V 9.04 3.66 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 1.06 0.00 0.00 0.97 0.00 0.00 51 A 7.91 4.24 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 52 R 7.85 4.26 0.00 2.07 1.95 0.00 3.24 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 53 V 7.76 3.76 2.36 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 0.91 0.00 0.00 1.01 0.00 0.00 54 K 7.84 4.35 0.00 1.89 1.78 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.66 7.81 55 T 7.77 3.85 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 1.21 0.00 0.00 56 L 7.75 4.24 0.00 1.79 1.72 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.33 4.36 0.00 1.66 1.74 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.92 4.60 0.00 3.09 2.84 0.00 0.00 6.60 7.17 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 59 E 8.01 4.26 0.00 2.12 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 2.31 2.35 0.00 60 K 7.37 4.21 0.00 1.80 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.42 1.38 7.81 61 A 7.46 4.22 1.32 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 0.00 0.00 0.00 62 G 10.43 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 63 A 7.48 4.12 1.20 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