NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.2890 8.3027 121.4702 55.7554 31.1489 176.3438 14 I 3.5327 8.3159 125.6655 63.9554 38.0318 176.5880 15 D 4.4304 9.0261 120.5887 57.3627 41.1940 178.2542 16 T 4.0659 7.8431 116.1176 66.5103 68.4927 176.4133 17 L 4.0168 7.9464 120.9832 57.9757 41.6268 179.8714 18 R 3.9419 8.0274 117.9088 59.2283 30.0680 178.8444 19 E 3.9731 8.3267 118.4710 59.4725 29.4186 179.1160 20 E 3.9607 8.0259 118.8258 59.1396 29.6744 178.6746 21 I 3.7092 7.9134 120.0149 64.7681 37.2371 178.1147 22 D 4.4515 8.1309 119.4709 57.2771 40.6769 179.1391 23 R 3.9237 7.8914 118.5072 59.1987 30.0515 178.9651 24 L 4.0207 8.3484 119.2195 58.0270 41.6278 179.3721 25 D 4.3769 8.6552 118.9730 57.1160 40.6866 178.5524 26 A 3.9980 7.9600 121.2795 55.2993 18.3687 179.6175 27 E 3.8946 8.0312 116.3765 59.5561 29.5530 179.6386 28 I 3.6664 8.0963 120.1836 64.2790 37.1464 178.0089 29 L 3.8994 8.3602 121.2796 58.2524 41.9181 178.7100 30 A 3.9865 7.9356 120.4247 55.4076 18.3215 179.7001 31 L 3.9554 7.9328 117.3209 57.9144 41.6339 179.9176 32 V 3.6641 8.2682 118.6838 65.7605 31.4410 178.1809 33 K 3.9250 8.2795 118.4734 59.4410 31.9272 179.2255 34 R 3.8573 7.8772 118.6710 59.4345 30.0564 178.3340 35 R 3.8723 8.5448 118.5970 59.5132 29.9500 178.2242 36 A 4.0240 8.3492 120.7594 55.2153 18.3735 179.4583 37 E 3.8946 8.2338 117.0595 59.5287 29.4989 179.8469 38 V 3.5696 7.9469 118.2356 66.0455 31.5864 178.0863 39 S 4.1226 8.5076 115.3124 61.7687 62.6379 176.9759 40 K 4.1912 8.6688 122.4097 58.8337 31.7760 179.3229 41 A 3.9774 8.0135 121.0590 55.0881 18.2150 179.6967 42 I 3.7422 8.0342 118.5807 64.4426 37.1576 178.7160 43 G 3.6851 8.1966 106.5188 47.8627 0.0000 175.7692 44 K 3.9464 8.2763 121.1517 59.0792 31.9791 179.3063 45 A 4.0410 8.0400 120.9841 55.0509 18.2515 179.7293 46 R 3.8145 8.2445 117.3382 60.0316 30.4039 178.7873 47 M 4.1711 8.2923 118.3588 58.2365 31.6734 178.6312 48 A 4.0679 8.4746 120.5588 54.4828 18.6090 178.8275 49 S 4.5570 7.6851 111.5412 57.4575 63.5927 174.4298 50 G 3.9341 7.8084 109.4010 46.2944 0.0000 174.4618 51 G 3.7939 8.4329 108.0906 44.9812 0.0000 174.6086 52 T 4.1650 8.1571 118.6790 62.4516 69.3691 174.8870 53 R 3.9850 8.4131 126.1672 56.5309 31.3902 177.2335 54 L 4.4566 8.1670 127.2859 53.9182 40.9785 177.7675 55 V 3.5191 7.4762 122.9869 66.4624 32.2383 177.6331 56 H 4.4107 8.0711 114.7781 57.4583 28.9779 175.8599 57 S 4.4180 7.5034 113.5944 59.2923 63.8859 176.0750 58 R 3.8539 8.1427 119.8827 58.9206 30.7464 177.9341 59 E 3.9719 8.5315 118.7596 59.5744 29.3271 179.0230 60 M 4.0414 7.9205 118.5453 58.4403 32.3115 178.3718 61 K 4.1182 8.2678 119.2474 59.9729 32.7609 179.3291 62 V 3.6570 8.0348 119.4582 65.8481 31.5116 177.9262 63 I 3.8000 7.9909 119.6419 64.6907 36.7407 178.2966 64 E 4.0220 8.3000 118.3602 59.1841 29.1066 179.1206 65 R 3.9784 8.1303 118.7943 59.7911 30.1666 178.2091 66 Y 4.0923 8.0594 115.5748 60.1624 37.8768 177.8828 67 S 4.1203 8.1132 115.7523 61.2604 62.5149 175.9048 68 E 3.9718 7.6046 121.8106 59.3907 29.2763 178.0757 69 L 4.4071 7.9574 116.2208 55.4266 42.4074 177.8261 70 G 3.8554 8.6672 109.1880 44.3018 0.0000 172.1556 71 P 4.2537 0.0000 0.0000 65.9568 31.0695 178.3853 72 D 4.4998 8.1794 117.1117 56.8923 40.6687 178.7915 73 G 3.6498 8.2206 106.8578 47.4159 0.0000 175.6343 74 K 3.9386 8.0610 121.4710 59.6082 32.2135 178.4486 75 D 4.3271 7.8445 119.2110 57.0586 40.6005 178.4360 76 L 3.7641 8.0986 120.7760 58.0722 42.0098 178.6773 77 A 3.5300 7.8237 120.7179 55.2674 18.2000 179.5142 78 I 3.5832 7.7114 118.0165 64.5019 37.1148 178.4234 79 L 3.8846 8.0084 121.0839 58.1519 41.7071 178.9763 80 L 3.9091 7.8303 118.0739 57.7238 41.8956 179.1665 81 L 4.1194 8.2005 119.2763 57.8841 41.4853 179.7349 82 R 3.9237 8.1047 118.0961 59.3286 29.7835 179.0811 83 L 4.0619 8.0475 117.9830 57.5256 41.4105 179.2483 84 G 3.7852 8.0418 104.4002 46.0852 0.0000 174.8157 85 R 4.4152 8.0320 118.7342 55.5193 30.8975 177.3636 86 G 4.1215 9.3351 103.3952 46.2530 0.0000 172.9112 87 R 4.6711 7.8259 117.5835 54.5939 34.3627 174.5704 88 L 4.5805 8.2918 119.3296 53.5369 43.2825 177.3663 89 G 3.7322 8.4527 109.4285 45.7633 0.0000 172.9914 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 13 E 8.30 4.29 0.00 2.06 1.89 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 2.27 2.52 0.00 14 I 8.32 3.53 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 1.64 1.30 0.91 0.00 0.00 15 D 9.03 4.43 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.07 4.40 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 1.21 0.00 0.00 17 L 7.95 4.02 0.00 1.92 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.03 3.94 0.00 2.04 1.98 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 19 E 8.33 3.97 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 20 E 8.03 3.96 0.00 2.09 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 0.00 2.31 2.39 0.00 21 I 7.91 3.71 2.03 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 1.71 0.68 0.95 0.00 0.00 22 D 8.13 4.45 0.00 2.91 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 23 R 7.89 3.92 0.00 2.04 1.97 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 24 L 8.35 4.02 0.00 1.81 1.73 0.93 1.01 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 25 D 8.66 4.38 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.00 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 27 E 8.03 3.89 0.00 2.21 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 2.33 2.50 0.00 28 I 8.10 3.67 1.88 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 1.43 0.72 0.93 0.00 0.00 29 L 8.36 3.90 0.00 1.79 1.88 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.94 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.96 0.00 1.88 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.27 3.66 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 1.11 0.00 0.00 1.01 0.00 0.00 33 K 8.28 3.93 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 34 R 7.88 3.86 0.00 1.96 2.09 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 35 R 8.54 3.87 0.00 2.00 2.05 0.00 3.19 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 1.65 1.69 0.00 36 A 8.35 4.02 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 37 E 8.23 3.89 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 38 V 7.95 3.57 2.20 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 1.11 0.00 0.00 1.01 0.00 0.00 39 S 8.51 4.12 0.00 4.05 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 40 K 8.67 4.19 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.44 7.81 41 A 8.01 3.98 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 42 I 8.03 3.74 2.05 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 1.46 0.77 0.91 0.00 0.00 43 G 8.20 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 44 K 8.28 3.95 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 45 A 8.04 4.04 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 46 R 8.24 3.81 0.00 1.98 2.10 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 47 M 8.29 4.17 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 48 A 8.47 4.07 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 49 S 7.69 4.56 0.00 3.92 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 7.81 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 0.00 0.00 0.00 51 G 8.43 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 0.00 0.00 0.00 52 T 8.16 4.16 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 53 R 8.41 3.99 0.00 1.76 1.82 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 54 L 8.17 4.46 0.00 1.74 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.48 3.52 1.89 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 0.85 0.00 0.00 0.93 0.00 0.00 56 H 8.07 4.41 0.00 3.21 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.50 4.42 0.00 4.04 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 58 R 8.14 3.85 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 59 E 8.53 3.97 0.00 2.20 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 2.33 2.51 0.00 60 M 7.92 4.04 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 61 K 8.27 4.12 0.00 2.02 2.22 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.46 7.81 62 V 8.03 3.66 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 1.18 0.00 0.00 1.02 0.00 0.00 63 I 7.99 3.80 2.04 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 1.53 0.66 0.94 0.00 0.00 64 E 8.30 4.02 0.00 2.10 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 2.36 2.47 0.00 65 R 8.13 3.98 0.00 1.96 2.08 0.00 3.02 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.51 0.00 66 Y 8.06 4.09 0.00 3.08 3.05 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 67 S 8.11 4.12 0.00 4.09 4.36 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 68 E 7.60 3.97 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 69 L 7.96 4.41 0.00 1.77 1.72 1.08 1.26 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 70 G 8.67 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.25 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 72 D 8.18 4.50 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.22 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.06 3.94 0.00 1.86 2.05 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 75 D 7.84 4.33 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.10 3.76 0.00 1.67 1.72 0.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.82 3.53 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.71 3.58 1.99 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 1.39 0.66 0.88 0.00 0.00 79 L 8.01 3.88 0.00 1.70 1.74 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.83 3.91 0.00 1.60 1.64 0.54 0.92 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 81 L 8.20 4.12 0.00 1.80 1.70 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.10 3.92 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 83 L 8.05 4.06 0.00 1.76 1.72 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.04 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 0.00 0.00 0.00 85 R 8.03 4.42 0.00 1.92 1.95 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 86 G 9.34 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.83 4.67 0.00 1.75 1.78 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 88 L 8.29 4.58 0.00 1.62 1.58 0.92 0.81 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 89 G 8.45 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