NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4915 8.3049 120.3270 55.2445 33.0481 173.0400 2 K 4.4845 7.8952 119.2781 55.3058 35.4951 171.3580 3 V 4.4486 7.4952 123.5500 61.4711 34.1077 173.1297 4 R 4.7756 8.2923 123.2230 54.4827 33.3772 175.2782 5 A 4.4108 8.5452 119.6790 51.6903 18.7331 177.5559 6 S 4.3660 7.5814 110.4029 56.5424 63.6587 172.7730 7 V 4.1284 8.1760 127.3428 61.4528 32.3421 175.2048 8 K 4.7046 8.2112 124.7850 55.0135 36.7679 176.4008 9 R 4.4142 8.1226 118.8142 55.6778 29.2738 176.2687 10 I 4.1363 7.1242 120.4665 61.3632 38.2996 175.7859 11 C 4.4004 7.9637 120.4202 57.0331 27.2791 174.1541 12 D 4.6596 8.7984 115.4867 54.6957 40.6290 177.4632 13 K 4.1946 8.0092 114.8082 56.7012 32.7380 175.6567 14 C 5.5884 8.7511 118.8187 58.3819 29.9508 172.8543 15 K 4.7321 8.3348 119.0652 54.4627 36.1811 175.8592 16 V 4.5440 8.0585 118.7752 62.6236 31.9442 175.9552 17 I 3.8744 8.1500 118.6134 61.7091 38.1745 175.0508 18 R 4.9268 8.4008 124.1171 54.2220 33.1971 174.1327 19 R 4.2628 8.7241 117.9470 56.9019 32.0410 175.8440 20 H 4.3694 9.7892 115.8166 57.1532 27.8845 175.1781 21 G 3.7251 8.4227 105.5639 45.0848 0.0000 173.6635 22 R 4.6909 7.9201 118.9068 54.0649 33.9181 174.3245 23 V 4.4637 7.7565 121.2749 62.3814 32.4021 175.2482 24 Y 5.0648 8.0121 128.6133 58.4480 40.7392 176.0350 25 V 4.3244 8.1924 116.4173 63.6571 33.9276 173.3245 26 I 4.3215 7.9925 128.9126 61.4095 39.1573 174.7374 27 C 5.2278 7.8586 122.2255 60.3664 33.8477 172.9005 28 E 4.0341 9.1071 119.4946 58.8764 29.1851 176.5851 29 N 4.8533 7.6820 116.4197 50.2635 39.1572 174.1115 30 P 4.3022 0.0000 0.0000 65.4512 31.3977 177.9938 31 K 4.2509 8.0054 115.9068 58.1416 31.6722 176.5529 32 H 4.8901 7.6182 113.5688 54.8606 30.3813 173.3476 33 K 4.1235 7.9772 121.1377 56.8733 31.1530 175.4311 34 Q 4.5075 8.4671 124.6165 55.0812 30.3382 176.2809 35 R 3.8533 7.7873 119.2291 54.7042 31.9007 173.6422 36 Q 3.1841 8.1904 115.3634 57.2412 28.7438 173.6770 37 G 3.7508 9.0977 112.8048 46.5221 0.0000 172.6375 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 4.49 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 2 K 7.90 4.48 0.00 1.69 1.75 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.27 7.81 3 V 7.50 4.45 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 0.75 0.00 0.00 0.86 0.00 0.00 4 R 8.29 4.78 0.00 1.84 1.94 0.00 2.99 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 5 A 8.55 4.41 1.33 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 0.00 0.00 0.00 6 S 7.58 4.37 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 4.13 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 0.87 0.00 0.00 0.93 0.00 0.00 8 K 8.21 4.70 0.00 1.70 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 R 8.12 4.41 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 10 I 7.12 4.14 1.56 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.27 0.76 0.00 0.00 11 C 7.96 4.40 0.00 3.19 2.38 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 12 D 8.80 4.66 0.00 2.79 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 13 K 8.01 4.19 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 14 C 8.75 5.59 0.00 2.79 2.98 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 0.00 0.00 0.00 15 K 8.33 4.73 0.00 1.59 1.71 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 V 8.06 4.54 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 0.84 0.00 0.00 0.94 0.00 0.00 17 I 8.15 3.87 1.87 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 1.23 0.91 0.84 0.00 0.00 18 R 8.40 4.93 0.00 1.81 1.78 0.00 3.34 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 19 R 8.72 4.26 0.00 1.99 1.88 0.00 2.21 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.00 0.00 20 H 9.79 4.37 0.00 3.36 3.56 0.00 5.88 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 21 G 8.42 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.69 0.00 1.97 1.81 0.00 3.21 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 23 V 7.76 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 0.88 0.00 0.00 0.99 0.00 0.00 24 Y 8.01 5.06 0.00 2.73 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 25 V 8.19 4.32 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 1.04 0.00 0.00 1.00 0.00 0.00 26 I 7.99 4.32 1.90 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 0.46 0.93 0.00 0.00 27 C 7.86 5.23 0.00 3.00 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 28 E 9.11 4.03 0.00 1.97 1.93 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 2.28 2.24 0.00 29 N 7.68 4.85 0.00 2.86 2.85 0.00 0.00 5.86 7.76 0.00 0.00 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 P 0.00 4.30 0.00 2.23 2.35 0.00 3.66 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 2.05 1.99 0.00 31 K 8.01 4.25 0.00 1.73 1.99 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 32 H 7.62 4.89 0.00 3.10 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.98 4.12 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 34 Q 8.47 4.51 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 35 R 7.79 3.85 0.00 1.46 1.55 0.00 3.16 0.00 0.00 2.85 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 36 Q 8.19 3.18 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 37 G 9.10 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 0.00 0.00 0.00