NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7452 8.2076 120.4740 54.4690 43.1521 173.4675 9 F 5.2880 7.9452 115.5859 55.1037 41.2942 168.5722 10 V 4.7338 9.0752 112.2225 59.6154 36.0829 176.0390 11 V 4.8151 8.6160 123.7861 61.3131 34.0327 174.5422 12 I 5.0037 8.7289 127.7382 59.5591 41.2256 173.8570 13 K 4.9878 9.0500 128.9627 54.3758 34.4812 174.8848 14 A 4.4605 8.8272 130.1309 52.0368 18.9849 177.9414 15 V 4.0103 8.8089 122.6496 63.7608 32.6256 175.1401 16 E 4.7597 7.8351 117.4118 54.5028 33.7147 174.2866 17 D 4.4224 8.5410 119.5429 55.3897 41.5027 176.3845 18 G 3.9204 8.0389 106.9594 46.6919 0.0000 174.3995 19 V 4.0142 7.5798 118.2300 62.5621 33.3593 174.7186 20 N 5.3957 9.2198 124.2133 51.3811 42.0411 173.4674 21 V 4.5620 8.7285 123.8172 61.3424 33.7964 174.0905 22 I 4.6422 8.8763 129.8256 59.3850 39.7802 174.9596 23 G 4.1978 8.8994 114.7379 44.8408 0.0000 172.4195 24 L 5.5130 8.7288 125.2996 53.0162 44.0741 176.2333 25 T 4.3867 8.8509 114.6776 61.7651 69.4221 174.1525 26 R 4.3991 7.8127 126.1228 55.9528 30.8406 176.1170 27 G 3.8246 8.6592 111.8041 44.4273 0.0000 172.8726 28 T 4.0020 8.4226 109.5825 64.1231 69.1219 174.4118 29 D 4.7472 7.8300 120.3421 53.1312 42.2646 175.9471 30 T 4.7438 8.3123 118.6614 61.7959 71.0381 173.1529 31 K 4.7028 8.9549 125.0886 54.7859 36.9008 175.5424 32 F 5.1822 8.6429 120.3371 58.1636 38.8398 175.1046 33 H 4.9175 9.1204 119.1893 56.4617 30.2698 174.4702 34 H 4.6375 7.5604 116.4743 55.2069 33.2168 172.2463 35 S 4.8576 8.3751 119.5265 56.4591 64.6720 172.4862 36 E 4.3735 9.1214 130.0759 54.6697 30.7417 174.9452 37 K 4.5417 8.6235 129.2367 56.1950 33.5137 175.7219 38 L 4.7315 8.9868 127.6089 53.0932 44.4584 176.0735 39 D 4.9383 8.8239 123.9225 52.7092 42.8920 176.1675 40 K 3.9180 8.6892 121.8450 58.4721 32.3178 177.4186 41 G 3.9695 9.0975 114.7022 45.4329 0.0000 173.3617 42 E 4.3735 7.9822 119.5071 55.9912 31.1064 175.8220 43 V 4.8613 8.1652 120.4976 61.1703 34.7474 174.4208 44 I 4.5779 8.9239 127.0513 59.1707 41.3618 173.8402 45 I 4.8679 8.3618 128.8432 59.5096 39.1611 174.6971 46 A 4.6849 8.9837 129.1748 50.1407 21.9458 175.2579 47 Q 4.9007 8.5378 120.4470 54.6752 30.7751 175.5891 48 F 4.6933 8.6316 120.2559 57.9043 38.6487 175.2318 49 T 4.6832 9.0750 111.3518 60.1827 71.9355 173.9906 50 E 4.1431 8.8992 121.2956 59.2784 29.7098 177.1796 51 H 4.6436 7.7538 113.7318 55.8691 29.9548 174.3082 52 T 5.1022 8.4266 116.5011 61.0746 70.0767 173.9662 53 S 5.0483 8.7733 119.6661 57.9017 64.7947 173.1785 54 A 5.1199 7.9348 121.2201 51.2496 22.5635 175.4090 55 I 4.9255 8.5981 121.0813 59.3548 40.7161 174.6718 56 K 4.5767 9.0019 128.4323 54.4802 34.7276 174.6737 57 V 4.7906 8.3727 126.5422 61.0597 33.7626 174.3578 58 R 4.4739 8.9913 128.2419 55.2908 32.9236 174.1928 59 G 3.8017 8.9892 111.0837 43.8114 0.0000 172.1662 60 E 4.5315 8.7276 119.5663 55.8135 30.4155 175.0936 61 A 5.0210 8.7916 127.8067 50.7631 23.5121 174.1521 62 L 4.8332 8.7339 122.5138 53.7030 44.1344 175.3596 63 I 5.0487 8.9254 127.0986 59.6040 40.5803 174.3754 64 Q 5.2339 9.1673 126.0583 54.4369 32.1511 174.9310 65 T 4.7720 8.7662 112.4176 59.7383 72.4208 174.3320 66 A 3.8289 8.3602 123.0998 55.1026 18.2054 177.9001 67 Y 4.7379 7.2266 111.5040 57.6404 38.6104 174.3842 68 G 3.8681 7.2142 106.1644 44.0491 0.0000 172.5629 69 E 5.2294 8.6130 118.5118 54.9731 32.2224 175.4470 70 M 4.8787 9.2227 121.8177 53.7687 36.4569 173.4239 71 K 5.1273 8.6122 125.4218 54.5904 34.5447 175.6859 72 S 4.6391 8.7861 122.3361 58.0230 64.8423 172.9259 73 E 4.9650 9.7099 119.6216 53.9978 33.1214 176.0129 74 K 3.9586 8.7245 121.5387 56.4739 32.8525 174.5759 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 8 D 8.21 4.75 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 5.29 0.00 3.01 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 10 V 9.08 4.73 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.85 0.00 0.00 11 V 8.62 4.82 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 1.07 0.00 0.00 1.09 0.00 0.00 12 I 8.73 5.00 1.84 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 1.10 0.57 0.89 0.00 0.00 13 K 9.05 4.99 0.00 1.79 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.83 4.46 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 15 V 8.81 4.01 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 7.84 4.76 0.00 1.92 1.79 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 2.31 2.34 0.00 17 D 8.54 4.42 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 0.00 0.00 0.00 19 V 7.58 4.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 20 N 9.22 5.40 0.00 2.63 2.57 0.00 0.00 6.40 7.22 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 21 V 8.73 4.56 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 0.90 0.00 0.00 0.88 0.00 0.00 22 I 8.88 4.64 1.38 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 -0.08 0.00 0.00 23 G 8.90 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 24 L 8.73 5.51 0.00 1.92 1.72 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.85 4.39 4.31 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 1.37 0.00 0.00 26 R 7.81 4.40 0.00 1.94 1.99 0.00 3.27 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.66 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.00 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 29 D 7.83 4.75 0.00 2.70 2.64 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 30 T 8.31 4.74 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 1.28 0.00 0.00 31 K 8.95 4.70 0.00 1.75 1.82 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.46 7.81 32 F 8.64 5.18 0.00 2.91 2.86 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 33 H 9.12 4.92 0.00 3.12 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.56 4.64 0.00 3.29 3.06 0.00 5.80 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 35 S 8.38 4.86 0.00 3.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 4.37 0.00 2.13 1.88 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 2.25 2.28 0.00 37 K 8.62 4.54 0.00 1.78 1.68 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.30 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 8.99 4.73 0.00 1.68 1.51 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.82 4.94 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 3.92 0.00 1.78 1.74 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 G 9.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.98 4.37 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 43 V 8.17 4.86 2.05 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 0.75 0.00 0.00 0.91 0.00 0.00 44 I 8.92 4.58 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.87 0.00 0.00 45 I 8.36 4.87 1.61 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.27 0.00 0.00 46 A 8.98 4.68 1.08 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.54 4.90 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.63 4.69 0.00 3.00 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 49 T 9.07 4.68 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 1.28 0.00 0.00 50 E 8.90 4.14 0.00 1.89 1.88 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 2.06 2.26 0.00 51 H 7.75 4.64 0.00 3.34 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.43 5.10 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 1.33 0.00 0.00 53 S 8.77 5.05 0.00 3.85 4.08 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 0.00 0.00 0.00 54 A 7.93 5.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.60 4.93 1.83 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.86 0.00 0.00 56 K 9.00 4.58 0.00 1.73 1.41 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.37 4.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.99 4.47 0.00 1.85 1.67 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 8.99 3.80 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 0.00 60 E 8.73 4.53 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 61 A 8.79 5.02 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 62 L 8.73 4.83 0.00 1.78 1.54 0.99 0.83 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 63 I 8.93 5.05 1.98 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 1.23 0.59 0.92 0.00 0.00 64 Q 9.17 5.23 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 65 T 8.77 4.77 4.01 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 0.00 0.00 1.20 0.00 0.00 66 A 8.36 3.83 0.89 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 0.00 0.00 67 Y 7.23 4.74 0.00 3.04 2.89 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 68 G 7.21 3.87 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 0.00 0.00 0.00 69 E 8.61 5.23 0.00 1.85 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 2.23 2.28 0.00 70 M 9.22 4.88 0.00 2.06 1.86 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 2.50 2.54 0.00 71 K 8.61 5.13 0.00 1.77 1.66 0.00 1.82 0.00 0.00 1.94 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.53 7.81 72 S 8.79 4.64 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.71 4.97 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 74 K 8.72 3.96 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.22 7.81