NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3087 8.3044 120.3503 54.6326 33.1341 177.9337 2 K 3.7513 8.8199 121.4946 55.6369 31.7692 174.7552 3 R 4.1791 8.6339 125.8642 56.7303 32.2526 176.5131 4 T 4.3755 7.7465 113.3058 59.7622 66.0898 175.7833 5 F 4.7952 7.1336 117.3160 58.3294 40.9118 172.3073 6 Q 4.2122 8.3184 127.4633 52.2091 28.7289 173.5514 7 P 3.9257 0.0000 0.0000 63.3783 31.6829 177.8805 8 S 4.2817 8.3995 114.7226 56.3195 63.9706 174.7994 9 V 3.5831 8.4548 130.5927 65.0661 30.6299 177.8557 10 L 3.9626 7.8612 120.1627 57.6523 41.8720 179.0289 11 K 4.0034 7.9144 117.8565 59.5626 32.4179 179.0222 12 R 4.0116 8.6572 119.2646 59.7883 29.7968 178.0756 13 N 4.4707 8.1624 116.0763 56.0552 38.5701 177.0770 14 R 4.1651 7.6366 114.0504 57.4713 29.4775 177.2895 15 S 4.5654 7.6443 115.4921 59.9419 64.7560 175.3013 16 H 4.9943 8.1359 116.3106 55.2766 29.6829 173.6938 17 G 4.2043 7.9481 107.8360 43.6492 0.0000 174.9775 18 F 3.9874 9.0601 123.4688 61.6077 39.3485 177.7988 19 R 4.0591 8.1538 116.9956 59.0704 29.9688 178.3387 20 A 4.1432 7.8002 119.1335 54.0984 18.6377 178.8748 21 R 4.0116 8.2213 118.3453 58.7893 29.9456 176.9323 22 M 4.4917 7.4316 116.4770 55.5184 33.1153 176.8671 23 A 4.4587 7.8934 123.7822 52.8157 20.7603 178.4040 24 T 4.7252 7.2858 105.0784 59.1058 73.2990 174.0932 25 K 3.8443 8.5340 121.3776 60.0829 31.9888 178.0357 26 N 4.7549 7.9520 113.7826 54.3886 38.7072 176.6139 27 G 4.0238 7.6632 110.0606 46.5993 0.0000 176.4962 28 R 4.0414 7.9425 120.4264 57.6843 29.9667 178.8463 29 Q 4.0886 7.9307 118.1105 58.3684 28.7961 177.9334 30 V 3.6086 7.6755 119.3295 65.9136 31.3626 178.0421 31 L 4.0525 7.8029 118.1388 57.6295 41.7946 178.8869 32 A 3.8250 7.9512 120.1694 54.6998 18.3457 179.7659 33 R 3.7927 7.9601 117.6434 59.7807 30.2516 178.8092 34 R 4.0691 7.6569 117.1777 58.7127 29.8481 178.9394 35 R 3.9206 8.4474 118.7299 59.0616 30.1568 178.2647 36 A 4.1000 7.8587 120.3215 55.0774 18.4118 179.4545 37 K 3.9299 7.6826 116.0837 57.4944 32.1706 177.0423 38 G 3.8380 7.5565 106.1531 46.2980 0.0000 173.7638 39 R 3.8352 8.0959 119.0655 56.2502 29.8971 175.7747 40 A 3.9793 8.0363 126.8040 53.8752 19.0000 177.5379 41 R 4.3908 7.5356 118.4036 54.3265 30.8877 176.7135 42 L 4.0801 8.7207 124.0212 56.8772 41.7517 178.3248 43 T 3.8971 8.1547 106.6455 62.4096 69.7275 174.1505 44 V 3.1661 8.2707 123.2645 63.7559 28.4520 173.3299 45 S 4.1429 7.6023 120.6022 59.7202 63.7914 175.6014 46 K 4.1820 7.6775 125.8230 55.5188 32.4622 176.2137 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 4.31 0.00 2.00 1.38 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.82 3.75 0.00 1.84 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 R 8.63 4.18 0.00 1.88 1.95 0.00 3.43 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 4 T 7.75 4.38 4.28 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 1.25 0.00 0.00 5 F 7.13 4.80 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.21 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 7 P 0.00 3.93 0.00 1.99 1.59 0.00 3.38 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 8 S 8.40 4.28 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 3.58 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 0.73 0.00 0.00 0.94 0.00 0.00 10 L 7.86 3.96 0.00 1.70 1.71 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.91 4.00 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 R 8.66 4.01 0.00 1.90 2.06 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 13 N 8.16 4.47 0.00 2.94 2.86 0.00 0.00 6.69 7.12 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 14 R 7.64 4.17 0.00 1.95 2.05 0.00 3.04 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.67 0.00 15 S 7.64 4.57 0.00 3.87 3.64 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 16 H 8.14 4.99 0.00 3.11 3.28 0.00 5.83 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 7.95 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 18 F 9.06 3.99 0.00 3.07 3.13 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 0.00 0.00 0.00 19 R 8.15 4.06 0.00 1.98 1.97 0.00 3.23 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 20 A 7.80 4.14 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 21 R 8.22 4.01 0.00 2.01 1.80 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 22 M 7.43 4.49 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.00 0.00 23 A 7.89 4.46 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 24 T 7.29 4.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 K 8.53 3.84 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 7.95 4.75 0.00 2.70 2.84 0.00 0.00 6.80 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 27 G 7.66 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 0.00 0.00 0.00 28 R 7.94 4.04 0.00 1.83 1.94 0.00 3.07 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 29 Q 7.93 4.09 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 30 V 7.68 3.61 2.27 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 1.03 0.00 0.00 0.96 0.00 0.00 31 L 7.80 4.05 0.00 1.84 1.71 0.56 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.95 3.83 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 33 R 7.96 3.79 0.00 2.28 2.08 0.00 3.14 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 1.71 0.00 34 R 7.66 4.07 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 35 R 8.45 3.92 0.00 1.99 1.98 0.00 3.31 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 36 A 7.86 4.10 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 37 K 7.68 3.93 0.00 1.80 2.01 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 G 7.56 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.10 3.84 0.00 1.93 1.89 0.00 3.32 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 40 A 8.04 3.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.39 0.00 1.82 1.91 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 L 8.72 4.08 0.00 1.69 1.88 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.15 3.90 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 1.26 0.00 0.00 44 V 8.27 3.17 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 0.85 0.00 0.00 0.96 0.00 0.00 45 S 7.60 4.14 0.00 3.99 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 46 K 7.68 4.18 0.00 1.70 1.70 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81