NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1815 8.3049 120.3109 55.4130 33.1485 177.0361 2 F 4.2923 9.1497 128.0288 58.6813 38.9627 174.1905 3 S 4.6545 8.6665 117.8582 59.4720 64.8993 175.3724 4 N 4.3262 8.0846 116.2169 54.8992 38.8236 176.3202 5 I 3.7828 7.9036 111.8227 62.6691 39.0470 177.5335 6 G 3.7473 7.5443 110.6719 46.4076 0.0000 176.0329 7 I 3.7646 8.5118 120.9557 64.0473 36.8798 175.9286 8 P 4.1148 0.0000 0.0000 65.9666 31.0182 178.6278 9 G 3.6900 7.8738 102.9012 47.3355 0.0000 175.6289 10 L 4.0541 8.7167 123.6831 58.0693 41.9779 179.0598 11 I 3.7413 7.3321 119.8155 64.3013 36.8385 178.0189 12 L 3.9921 7.9174 119.3678 58.3660 42.1218 178.6736 13 I 3.9217 7.6960 119.5276 64.3002 37.0716 178.0736 14 F 4.1621 8.9567 122.1842 61.3727 39.0966 177.1963 15 V 3.6177 8.2462 118.0159 66.2565 30.8468 177.8485 16 I 3.6222 7.5690 119.0426 64.5523 36.7463 178.1679 17 A 3.8975 7.9715 121.4305 54.8545 18.2026 179.6876 18 L 3.9034 7.5639 117.2115 57.8589 41.5323 179.2520 19 I 3.6194 7.7166 117.8868 64.0723 37.9755 177.3811 20 I 3.7205 6.9702 117.9247 63.8261 37.8908 176.4300 21 F 4.5632 8.8713 118.7050 55.3042 39.8659 174.8561 22 G 4.3932 7.7171 105.4688 43.1686 0.0000 172.9579 23 P 4.3757 0.0000 0.0000 64.6610 31.6199 176.9396 24 S 4.5509 7.9887 111.8282 58.5008 62.8898 174.5554 25 K 4.3792 7.8842 119.2254 58.8716 32.5823 178.6171 26 L 3.9702 7.7205 118.8456 57.3865 41.6850 177.6327 27 P 4.3115 0.0000 0.0000 65.2828 31.2319 178.3085 28 E 3.9536 8.1151 117.9776 59.2557 29.6385 178.7892 29 I 3.7985 7.7116 119.7020 64.2531 37.1062 178.6052 30 G 3.6375 7.8821 106.4348 47.8576 0.0000 175.9584 31 R 3.9181 8.0473 120.4043 58.8289 29.5889 179.0176 32 A 4.0001 8.2070 120.3799 55.2960 18.3886 179.6658 33 A 4.1530 8.7409 119.6013 54.9031 18.3641 179.9051 34 G 3.6312 8.2622 105.1050 48.2832 0.0000 176.1515 35 R 3.9899 7.7868 120.5112 59.1968 29.8698 179.3029 36 T 3.8824 7.3910 113.5375 66.7065 68.7687 176.5062 37 L 4.3917 8.8245 121.5162 57.5775 41.1889 179.1556 38 L 4.0117 8.1303 120.7288 58.1976 42.0296 178.8534 39 E 3.7872 8.1381 116.7809 58.6221 29.5859 178.8746 40 F 4.0071 8.1322 122.6159 61.2068 39.4418 177.1558 41 K 4.0700 8.2217 118.0263 60.1534 32.1436 179.1081 42 S 4.1053 7.5615 115.1107 61.3388 62.8954 176.1738 43 A 4.1545 8.1319 123.5812 55.3461 18.0473 179.8414 44 T 3.8681 8.1831 114.4681 66.6953 68.5733 176.5980 45 K 3.8424 8.3819 121.7341 59.8662 32.0284 178.8649 46 S 4.2367 7.8836 115.2360 61.1168 62.5166 176.6250 47 L 4.0221 7.8711 121.6460 57.6926 41.4892 179.5280 48 V 3.7800 7.6472 117.5697 64.7319 31.4013 177.8481 49 S 4.2573 8.4010 114.0352 60.0484 62.0460 175.3861 50 G 3.8953 7.8941 107.5983 45.7086 0.0000 171.8399 51 D 4.3743 7.5761 116.7150 51.9436 42.4760 175.6452 52 E 4.0963 9.0557 116.4012 57.0644 29.1666 176.9916 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 4.18 0.00 2.02 1.21 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 F 9.15 4.29 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 3 S 8.67 4.65 0.00 3.92 3.92 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 4 N 8.08 4.33 0.00 2.73 2.84 0.00 0.00 7.11 7.44 0.00 0.00 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 I 7.90 3.78 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.95 0.00 0.00 6 G 7.54 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 7 I 8.51 3.76 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.13 0.88 0.00 0.00 8 P 0.00 4.11 0.00 2.24 2.14 0.00 3.66 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 2.18 2.19 0.00 9 G 7.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.72 4.05 0.00 1.68 1.79 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.33 3.74 2.06 0.00 0.00 0.81 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 0.37 0.97 0.00 0.00 12 L 7.92 3.99 0.00 1.66 1.90 0.95 1.06 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 13 I 7.70 3.92 2.12 0.00 0.00 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 1.46 1.30 1.01 0.00 0.00 14 F 8.96 4.16 0.00 3.27 3.25 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 0.00 15 V 8.25 3.62 2.28 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 1.03 0.00 0.00 1.06 0.00 0.00 16 I 7.57 3.62 2.02 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 1.82 0.98 0.90 0.00 0.00 17 A 7.97 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 3.90 0.00 1.83 1.72 1.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.72 3.62 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.93 0.00 0.00 20 I 6.97 3.72 1.58 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.42 0.00 0.00 21 F 8.87 4.56 0.00 3.06 2.87 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 22 G 7.72 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.38 0.00 2.23 2.25 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 24 S 7.99 4.55 0.00 3.86 3.92 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 25 K 7.88 4.38 0.00 2.14 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.54 7.81 26 L 7.72 3.97 0.00 1.74 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.31 0.00 2.17 2.11 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 28 E 8.12 3.95 0.00 2.15 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 0.00 2.38 2.41 0.00 29 I 7.71 3.80 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.89 0.00 0.00 30 G 7.88 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 0.00 0.00 0.00 31 R 8.05 3.92 0.00 2.07 2.00 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 32 A 8.21 4.00 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 A 8.74 4.15 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 34 G 8.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.99 0.00 1.81 1.99 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 36 T 7.39 3.88 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 1.29 0.00 0.00 37 L 8.82 4.39 0.00 1.76 1.77 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.13 4.01 0.00 1.90 1.90 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.14 3.79 0.00 2.15 2.17 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 0.00 2.48 2.28 0.00 40 F 8.13 4.01 0.00 3.34 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 41 K 8.22 4.07 0.00 2.10 2.10 0.00 1.48 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.82 7.81 42 S 7.56 4.11 0.00 4.01 3.98 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 43 A 8.13 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 44 T 8.18 3.87 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 K 8.38 3.84 0.00 1.79 2.04 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.65 7.81 46 S 7.88 4.24 0.00 4.09 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 47 L 7.87 4.02 0.00 1.75 1.75 0.97 0.85 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 48 V 7.65 3.78 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 0.83 0.00 0.00 0.94 0.00 0.00 49 S 8.40 4.26 0.00 4.03 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 50 G 7.89 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 0.00 0.00 0.00 51 D 7.58 4.37 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.10 0.00 2.09 2.02 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 2.29 2.35 0.00