NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4065 8.1627 118.3252 55.2577 33.7319 173.5569 2 Q 4.7242 8.2934 121.5452 52.9103 30.6085 172.8361 3 I 4.5535 8.9559 121.2646 59.0165 41.8014 173.8063 4 F 5.3573 8.7161 121.0551 55.7275 42.2481 174.9923 5 V 4.7974 9.1046 122.7435 61.1791 33.9722 173.8954 6 K 4.9978 9.1597 131.0532 55.3394 33.9991 175.7436 7 T 4.7568 8.6584 117.5017 59.5976 71.4268 175.1651 8 L 3.9585 8.7330 123.8784 58.5444 41.9688 178.4085 9 T 3.9237 7.7581 106.5548 63.0994 68.9056 175.0009 10 G 3.9869 8.0210 110.4921 44.7304 0.0000 173.2386 11 K 4.2737 7.7294 120.4992 56.1503 33.6565 175.7283 12 T 5.0251 8.4378 123.0591 61.9823 70.7331 173.5417 13 I 4.3544 9.0783 128.3784 60.5926 39.2205 174.9918 14 T 4.8685 8.4831 122.7353 62.0783 70.0179 173.9250 15 L 4.7204 8.5761 126.5130 52.8551 45.0112 175.4401 16 E 4.7888 8.6809 122.7292 55.3945 30.4499 175.5050 17 V 4.7285 8.7748 117.8229 59.8646 36.3680 174.4076 18 E 4.7850 9.0629 118.9412 54.1972 33.6305 175.8442 19 P 4.2674 0.0000 0.0000 65.4945 31.6300 179.0970 20 S 4.2220 7.9294 113.1725 60.7850 63.3148 174.3788 21 D 4.4610 8.0715 122.2243 54.0540 41.2016 176.3804 22 T 4.6107 8.2841 114.5163 61.3041 71.1122 175.6606 23 I 3.7238 8.3195 122.9513 64.4973 37.1537 178.3983 24 E 3.9214 8.1815 119.7174 59.4900 29.4053 178.5608 25 N 4.3841 7.9867 116.0104 56.0964 38.6593 177.6841 26 V 3.5573 7.8333 119.7577 66.0003 31.7762 178.2552 27 K 4.2920 8.6052 119.5943 58.9192 31.7133 179.2026 28 A 4.0480 7.9479 120.6013 54.9977 17.8381 179.8618 29 K 3.9714 7.8479 116.9431 59.4858 32.0503 179.6961 30 I 3.7475 7.7347 120.1034 64.1902 36.9164 178.0579 31 Q 4.1861 7.9182 121.6315 58.8691 28.6576 178.3302 32 D 4.3605 7.7358 118.6243 56.7030 40.8372 178.3003 33 K 4.2508 7.4697 117.8366 58.1291 32.5787 177.9979 34 E 4.6161 8.8916 116.5914 55.2833 31.7246 177.2903 35 G 3.9538 8.2583 106.1671 44.8696 0.0000 173.3757 36 I 3.9680 7.4947 122.0022 59.8085 37.8774 173.8067 37 P 4.4275 0.0000 0.0000 61.8976 32.1122 175.4682 38 P 4.2800 0.0000 0.0000 65.9734 31.5000 178.4559 39 D 4.4041 8.1088 116.7390 57.2122 41.0205 177.2923 40 Q 4.2449 8.1834 116.6706 56.8275 29.3795 175.0493 41 Q 4.8044 7.8162 118.6349 54.7078 30.7954 174.9649 42 R 4.6554 8.8991 122.0956 54.3840 33.8818 174.2030 43 L 5.1342 8.5458 123.6477 53.1849 44.1696 175.2827 44 I 4.9976 9.0206 124.8221 59.4276 40.1915 174.3877 45 F 4.9441 8.7267 128.4315 56.5695 42.4635 174.6129 46 A 3.4458 8.7825 129.4033 53.2893 15.7602 177.0909 47 G 3.8779 8.1090 103.5837 46.3572 0.0000 173.2239 48 K 4.5224 7.6122 120.2306 53.7633 34.8569 175.3586 49 Q 4.5929 8.6748 125.3326 56.1191 29.2352 175.7043 50 L 4.0738 8.7089 125.5610 54.0897 42.5170 176.1311 51 E 4.5243 8.7920 125.1245 54.7673 31.3884 175.3930 52 D 4.4170 8.6525 126.2813 56.0256 41.5756 174.9678 53 G 4.2155 9.0344 110.9899 46.0363 0.0000 174.6077 54 R 4.1739 7.7344 119.0619 55.9163 30.7315 176.6610 55 T 4.7086 8.3271 112.1371 60.4988 70.5231 175.8736 56 L 4.0703 8.5089 121.7187 57.8945 41.3161 179.8613 57 S 4.1241 7.9785 112.8578 61.2962 62.1125 175.5960 58 D 4.3826 7.6175 120.2288 56.0251 40.4546 176.4572 59 Y 4.7082 7.3852 114.9073 56.7390 38.9902 174.8171 60 N 4.1997 8.2843 115.8320 54.0498 36.8663 174.6373 61 I 3.5329 7.7509 118.7546 61.4069 37.3384 176.5892 62 Q 4.4803 7.6255 125.8435 53.6582 30.9786 175.4249 63 K 4.0081 8.1515 117.6245 58.2684 33.0971 177.7166 64 E 4.1039 9.1563 120.0871 56.8160 28.1716 174.8586 65 S 4.6981 7.5231 113.6280 58.4388 64.9046 173.1060 66 T 5.2949 8.6868 117.8994 62.1434 70.2891 173.9607 67 L 4.9761 9.1973 126.6511 53.9475 44.4752 175.0681 68 H 5.2893 9.4637 119.0964 54.1656 31.2584 173.4869 69 L 5.0196 8.8551 125.7453 53.5070 43.4665 175.4464 70 V 4.4175 8.8759 127.1952 61.1778 33.8518 174.0893 71 L 4.9966 8.4926 127.3180 53.3343 43.2292 177.6315 72 R 4.4299 8.8526 125.5395 54.7993 28.0875 175.9114 73 L 4.5863 7.8643 121.1247 53.1633 44.0271 176.2168 74 R 4.6154 8.3620 119.5742 54.5010 32.0108 176.9031 75 G 3.7335 8.5425 110.0569 45.7060 0.0000 172.6094 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 8.16 4.41 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 Q 8.29 4.72 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.64 2.07 0.00 3 I 8.96 4.55 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.83 0.00 0.00 4 F 8.72 5.36 0.00 3.00 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 5 V 9.10 4.80 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.16 5.00 0.00 1.77 1.50 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 T 8.66 4.76 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 L 8.73 3.96 0.00 1.62 1.77 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.76 3.92 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 1.22 0.00 0.00 10 G 8.02 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 11 K 7.73 4.27 0.00 1.91 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.44 5.03 4.25 0.00 0.00 0.00 0.00 0.00 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 13 I 9.08 4.35 1.90 0.00 0.00 0.88 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 0.76 0.92 0.00 0.00 14 T 8.48 4.87 4.26 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 1.09 0.00 0.00 15 L 8.58 4.72 0.00 1.47 1.46 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.79 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 17 V 8.77 4.73 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 9.06 4.78 0.00 1.99 1.75 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 2.19 2.24 0.00 19 P 0.00 4.27 0.00 2.15 2.08 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.93 4.22 0.00 3.84 3.91 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 0.00 0.00 0.00 21 D 8.07 4.46 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.61 4.26 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 1.27 0.00 0.00 23 I 8.32 3.72 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.08 0.96 0.00 0.00 24 E 8.18 3.92 0.00 2.04 1.95 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 2.38 2.41 0.00 25 N 7.99 4.38 0.00 2.97 2.84 0.00 0.00 6.68 7.96 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 26 V 7.83 3.56 2.22 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 1.01 0.00 0.00 0.92 0.00 0.00 27 K 8.61 4.29 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.45 7.81 28 A 7.95 4.05 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 29 K 7.85 3.97 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.73 3.75 2.17 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 0.68 0.91 0.00 0.00 31 Q 7.92 4.19 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 7.74 4.36 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.25 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.61 7.81 34 E 8.89 4.62 0.00 1.93 1.95 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 2.23 2.42 0.00 35 G 8.26 3.95 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 0.00 0.00 0.00 36 I 7.49 3.97 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.10 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.22 2.18 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 38 P 0.00 4.28 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.11 4.40 0.00 2.67 2.74 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 40 Q 8.18 4.24 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 Q 7.82 4.80 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 42 R 8.90 4.66 0.00 1.77 1.79 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.13 0.00 1.57 1.56 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.02 5.00 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 1.13 1.26 0.96 0.00 0.00 45 F 8.73 4.94 0.00 3.01 2.73 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 46 A 8.78 3.45 0.92 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 0.00 0.00 47 G 8.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.61 4.52 0.00 1.68 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.40 7.81 49 Q 8.67 4.59 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.71 4.07 0.00 1.40 1.41 0.78 -0.18 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 51 E 8.79 4.52 0.00 2.16 1.92 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 2.31 2.37 0.00 52 D 8.65 4.42 0.00 2.73 2.61 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 53 G 9.03 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 0.00 0.00 0.00 0.00 54 R 7.73 4.17 0.00 2.19 1.82 0.00 2.96 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 55 T 8.33 4.71 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.51 4.07 0.00 1.71 1.72 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.12 0.00 3.97 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 58 D 7.62 4.38 0.00 2.59 2.22 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 0.00 59 Y 7.39 4.71 0.00 2.88 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 60 N 8.28 4.20 0.00 2.91 2.92 0.00 0.00 6.92 7.27 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 61 I 7.75 3.53 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.04 0.64 0.00 0.00 62 Q 7.63 4.48 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 63 K 8.15 4.01 0.00 1.91 1.91 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 64 E 9.16 4.10 0.00 2.19 2.34 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 2.41 2.71 0.00 65 S 7.52 4.70 0.00 4.23 4.09 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 66 T 8.69 5.29 4.33 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 1.25 0.00 0.00 67 L 9.20 4.98 0.00 1.58 1.62 0.88 0.81 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 68 H 9.46 5.29 0.00 3.13 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.02 0.00 1.60 1.57 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.88 4.42 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.49 5.00 0.00 1.56 1.57 0.93 0.94 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 72 R 8.85 4.43 0.00 1.64 1.89 0.00 3.31 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 73 L 7.86 4.59 0.00 1.63 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.36 4.62 0.00 1.78 1.83 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 G 8.54 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