NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3009 8.3001 120.3518 54.2522 34.4958 174.4667 2 A 4.1891 7.7159 121.9967 50.9920 20.2180 176.3975 3 G 3.8440 8.9598 111.0755 45.6642 0.0000 171.3075 4 V 3.3061 7.9555 117.6244 63.4984 28.5959 168.1908 5 K 3.9470 8.0583 125.0524 55.7195 32.6351 176.4088 6 A 4.4943 7.9544 120.0594 51.9609 20.0212 176.8156 7 Y 4.6197 7.5637 112.2541 58.1552 40.2790 176.9253 8 E 4.1185 8.3330 120.0941 59.0075 30.2743 177.5248 9 L 4.0801 7.9415 120.2040 58.0975 42.5304 178.6848 10 R 3.8249 7.4117 118.0177 59.2492 29.9806 176.9164 11 T 4.3214 7.6764 108.6541 61.5818 67.8625 174.2942 12 K 3.9741 7.6034 122.5825 57.1175 32.6394 175.9826 13 S 4.6226 9.1511 120.2782 57.6415 63.6875 173.5891 14 K 5.3466 8.2150 135.0000 57.7869 31.5796 176.9273 15 E 4.0078 7.6191 119.3791 59.1952 29.4343 179.0224 16 Q 4.0016 8.0463 117.7175 58.8800 28.8755 178.4543 17 L 3.9450 7.8763 120.6644 58.0207 42.0817 178.6612 18 A 3.9951 7.9094 120.4286 55.1603 18.0804 179.5889 19 S 4.0499 7.7646 110.3647 61.6043 62.6634 176.1175 20 Q 4.1248 8.0442 120.7358 58.8540 28.3156 178.4618 21 L 3.9843 8.0915 121.6877 57.9230 42.2244 178.9735 22 V 3.8712 7.6975 118.0576 63.2991 31.5103 176.8712 23 D 4.8662 7.5463 117.8169 54.4369 40.5613 177.0619 24 L 4.5107 7.5486 119.6420 54.6477 42.3688 177.0698 25 K 4.4112 7.5145 117.9872 56.4157 32.7804 176.7804 26 K 4.4917 7.5851 116.7250 57.6435 32.3026 177.8870 27 E 4.0208 8.0757 119.4561 58.5051 29.4083 177.7470 28 L 4.3134 7.2552 112.5931 54.7190 42.3955 177.2911 29 A 4.5770 7.4162 118.3924 52.0692 19.9446 177.3701 30 E 4.2907 7.7080 116.4814 56.5078 29.9871 176.0538 31 L 4.7886 7.1116 120.3355 54.2221 42.6912 175.7569 32 K 4.6514 7.8743 114.8535 54.4697 35.8989 176.0582 33 V 4.6025 8.2121 115.5854 59.4565 35.6810 174.6299 34 Q 4.4760 8.1519 118.8016 55.5552 30.6332 175.7133 35 K 3.9947 9.9632 119.8169 56.6648 30.0039 176.9923 36 L 4.5842 6.8148 115.0859 52.4568 43.9373 173.3492 37 S 5.0993 7.5751 123.7284 58.2985 60.3397 176.3777 38 R 4.5603 7.3913 117.7679 54.1508 32.2585 172.1592 39 P 4.4308 0.0000 0.0000 63.3661 29.7797 177.0949 40 S 4.1509 9.4215 108.8210 60.8185 63.3267 173.8779 41 L 4.3966 7.5908 119.2321 53.3534 43.9058 176.0065 42 P 4.3175 0.0000 0.0000 64.9622 31.1212 179.1262 43 K 3.9442 7.9446 118.7829 59.5742 32.2651 178.7370 44 I 3.7122 7.5646 119.6599 64.1395 36.5850 178.2072 45 K 3.9435 8.2216 120.5875 59.8036 31.9238 179.1033 46 T 3.8778 7.7801 115.6410 66.6679 67.8850 176.8982 47 V 3.6776 8.0296 119.9176 65.3052 31.2148 178.0510 48 R 3.9691 8.2380 118.9596 58.5270 29.7473 177.6566 49 K 4.6566 7.5309 115.0557 56.1642 32.1206 177.1559 50 S 4.6436 7.5639 113.6323 58.4727 62.9764 175.9011 51 I 3.6377 7.4562 121.4078 64.8427 36.4151 177.9221 52 A 3.9732 7.5430 121.3942 55.2836 17.4877 179.0779 53 C 4.2607 7.9981 116.5864 61.1053 31.8360 174.8468 54 V 4.3574 7.2869 111.2376 60.9163 32.7960 176.7036 55 L 4.3917 7.7489 120.5557 56.1152 41.8840 178.7538 56 T 3.9608 7.5554 109.5934 64.5225 68.8424 177.0177 57 V 3.5615 7.1683 117.8715 65.8678 31.1385 178.1543 58 I 3.7249 7.6537 119.1860 64.3053 36.8722 177.7667 59 N 4.5607 8.0490 115.6918 54.7018 38.5434 177.2161 60 E 3.9489 7.9848 121.7888 59.1647 29.8098 178.5744 61 Q 3.9930 8.0273 117.7060 59.3792 28.1340 178.5046 62 Q 3.9751 7.8236 119.4361 58.5941 28.5053 178.7130 63 R 3.9102 7.5598 118.5661 59.6020 30.6132 178.2075 64 E 4.1059 8.4479 118.2999 59.2438 29.3006 179.1808 65 A 4.0491 8.0527 120.9340 54.8908 18.2033 179.4922 66 V 3.6675 7.3905 114.3707 64.7955 31.7556 177.1086 67 R 4.3453 7.5481 115.8891 57.1649 30.4874 176.8237 68 Q 4.3577 7.5446 115.8160 56.6330 29.2912 175.4594 69 L 4.3195 7.6222 124.5921 54.7208 42.1201 176.0888 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 4.30 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 A 7.72 4.19 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 3 G 8.96 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 4 V 7.96 3.31 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 0.79 0.00 0.00 0.93 0.00 0.00 5 K 8.06 3.95 0.00 1.99 1.85 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 6 A 7.95 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.56 4.62 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.33 4.12 0.00 1.95 1.98 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 2.30 2.36 0.00 9 L 7.94 4.08 0.00 1.64 1.58 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.41 3.82 0.00 2.11 1.95 0.00 3.33 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 11 T 7.68 4.32 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 1.31 0.00 0.00 12 K 7.60 3.97 0.00 1.93 1.82 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.38 7.81 13 S 9.15 4.62 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 14 K 8.21 5.35 0.00 2.05 2.07 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.19 7.81 15 E 7.62 4.01 0.00 2.08 2.03 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 2.40 2.46 0.00 16 Q 8.05 4.00 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 17 L 7.88 3.94 0.00 1.67 1.80 0.91 0.97 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 18 A 7.91 4.00 1.39 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 19 S 7.76 4.05 0.00 4.02 4.05 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 0.00 0.00 0.00 20 Q 8.04 4.12 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 21 L 8.09 3.98 0.00 1.92 1.79 0.91 0.76 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 22 V 7.70 3.87 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 0.88 0.00 0.00 0.93 0.00 0.00 23 D 7.55 4.87 0.00 2.71 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 24 L 7.55 4.51 0.00 1.78 1.67 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.51 4.41 0.00 2.02 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 26 K 7.59 4.49 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.67 7.81 27 E 8.08 4.02 0.00 2.15 1.99 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 2.39 2.59 0.00 28 L 7.26 4.31 0.00 1.58 1.69 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.42 4.58 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 30 E 7.71 4.29 0.00 2.26 2.16 0.00 0.00 0.00 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 2.44 0.00 31 L 7.11 4.79 0.00 1.88 1.60 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.87 4.65 0.00 1.81 1.64 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.52 7.81 33 V 8.21 4.60 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 0.76 0.00 0.00 0.93 0.00 0.00 34 Q 8.15 4.48 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.18 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 35 K 9.96 3.99 0.00 1.95 1.91 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 36 L 6.81 4.58 0.00 1.58 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.58 5.10 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.39 4.56 0.00 1.93 1.96 0.00 3.02 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 39 P 0.00 4.43 0.00 2.28 1.79 0.00 3.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 40 S 9.42 4.15 0.00 3.85 3.93 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 0.00 0.00 0.00 41 L 7.59 4.40 0.00 1.76 1.64 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.32 0.00 2.15 2.09 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 43 K 7.94 3.94 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 44 I 7.56 3.71 2.06 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 1.52 0.52 0.91 0.00 0.00 45 K 8.22 3.94 0.00 1.82 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 T 7.78 3.88 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 1.20 0.00 0.00 47 V 8.03 3.68 2.13 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 1.01 0.00 0.00 0.99 0.00 0.00 48 R 8.24 3.97 0.00 2.01 2.14 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 K 7.53 4.66 0.00 1.92 1.76 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.47 7.81 50 S 7.56 4.64 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.46 3.64 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.90 0.00 0.00 52 A 7.54 3.97 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 53 C 8.00 4.26 0.00 3.12 2.91 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 54 V 7.29 4.36 2.06 0.00 0.00 0.00 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 1.02 0.00 0.00 55 L 7.75 4.39 0.00 1.70 1.69 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.56 3.96 4.23 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 1.20 0.00 0.00 57 V 7.17 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 0.99 0.00 0.00 58 I 7.65 3.72 1.87 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 1.52 0.90 0.91 0.00 0.00 59 N 8.05 4.56 0.00 2.80 2.85 0.00 0.00 6.68 8.23 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 60 E 7.98 3.95 0.00 2.21 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 0.00 2.30 2.31 0.00 61 Q 8.03 3.99 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 62 Q 7.82 3.98 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 63 R 7.56 3.91 0.00 1.80 2.25 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 64 E 8.45 4.11 0.00 2.02 1.98 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 2.48 2.47 0.00 65 A 8.05 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.67 2.21 0.00 0.00 0.00 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 0.99 0.00 0.00 67 R 7.55 4.35 0.00 1.99 2.17 0.00 3.35 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 68 Q 7.54 4.36 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 69 L 7.62 4.32 0.00 1.61 1.54 0.95 0.83 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