NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8585 8.2076 120.5071 54.5457 42.9792 173.6343 9 F 5.1434 7.9604 114.5199 55.2627 41.5169 168.3991 10 V 4.6179 9.1667 112.3581 59.5336 36.0455 176.1229 11 V 4.8497 8.7411 124.0977 61.2770 34.0784 174.4262 12 I 5.0545 8.8820 128.1526 59.4310 40.9608 173.9908 13 K 5.0105 8.9403 128.6679 54.2532 34.6526 174.8514 14 A 4.4260 8.8782 130.2871 52.2816 18.6959 178.2233 15 V 3.9634 8.7047 116.6035 62.4824 32.7426 175.9056 16 E 4.7699 7.8699 117.6130 54.0193 33.6036 174.6279 17 D 4.4126 8.3573 119.5842 55.8214 41.2956 177.0144 18 G 3.8777 8.8020 109.6541 45.5454 0.0000 173.5456 19 V 4.0219 7.5307 120.2818 62.6180 32.8957 174.5864 20 N 5.4076 9.1121 124.7316 51.4247 41.8070 173.6088 21 V 4.6186 8.9614 123.7513 61.3923 33.6714 174.1458 22 I 4.6654 8.7066 130.0276 59.4318 39.5930 174.9893 23 G 4.1051 8.8062 114.9370 44.9717 0.0000 172.5146 24 L 5.4865 8.7570 125.5717 53.0338 44.1423 176.2465 25 T 4.4131 8.7787 114.1968 61.8469 69.3767 174.1390 26 R 4.4112 7.9795 126.0377 56.1560 30.9596 175.8353 27 G 3.8478 8.7765 111.0353 44.2089 0.0000 172.9831 28 T 3.9661 8.4803 109.3527 64.0992 68.9218 174.1763 29 D 4.8005 7.8114 120.0825 53.0098 42.4887 176.1056 30 T 4.6453 8.2818 118.1115 61.8948 70.6088 173.3025 31 K 4.8076 9.0369 125.2192 54.0093 37.0765 176.1268 32 F 4.9737 9.0533 122.0414 58.5185 38.7145 174.7878 33 H 4.9358 9.0223 119.5451 56.3252 30.2252 174.4080 34 H 4.6498 7.5301 116.4433 55.2468 33.2080 172.2633 35 S 4.8279 8.3520 119.3570 56.4598 64.7638 172.4030 36 E 4.4065 9.2336 129.8546 54.9798 30.8818 175.1271 37 K 4.7248 8.6237 126.8514 55.9789 33.3010 176.1446 38 L 4.7691 8.9785 125.0111 53.0743 44.6425 175.8878 39 D 4.7718 8.7070 123.2297 52.4089 43.2324 175.9527 40 K 3.8609 8.1646 121.0232 58.7456 32.2702 177.1465 41 G 3.9608 9.2233 115.3515 45.0564 0.0000 172.9977 42 E 4.5428 7.9546 119.3562 55.4276 31.6298 175.4200 43 V 4.8715 8.1497 120.2121 61.1907 34.8145 174.3835 44 I 4.5894 9.0059 126.8535 59.1854 41.3095 173.8449 45 I 4.9158 8.4122 128.9638 59.5570 39.0252 174.7201 46 A 4.7115 8.8653 128.7424 50.1650 22.0586 175.2280 47 Q 4.9011 8.5305 120.1744 54.6145 30.9131 175.4484 48 F 4.7517 8.4749 120.1813 57.7450 39.8594 175.3393 49 T 4.7373 9.0302 111.5272 60.1228 71.9824 174.2047 50 E 3.9297 8.9175 120.0721 59.5307 29.5760 178.1649 51 H 4.6169 7.8546 114.1570 56.0700 29.9964 174.2138 52 T 5.3207 8.0866 116.8527 61.8412 70.9315 174.4258 53 S 5.0487 8.9221 120.1521 57.9145 64.7981 173.3780 54 A 5.0995 7.9303 121.4508 51.1316 22.6221 175.2959 55 I 4.9701 8.5552 120.8595 59.4781 40.6308 175.0009 56 K 4.6634 8.8895 126.1047 54.4920 35.1792 175.2881 57 V 4.7762 8.2827 122.6897 61.0781 34.0972 174.4946 58 R 4.4714 9.0328 127.8926 55.3343 32.9944 174.1289 59 G 4.0154 9.0087 111.2184 43.9767 0.0000 172.0222 60 E 4.6583 8.7005 119.5490 55.3844 30.6317 174.8336 61 A 4.9942 8.7355 127.6585 50.7283 23.4915 174.1708 62 L 4.8402 8.7510 122.8087 53.6861 44.0540 175.3188 63 I 5.0326 8.8973 127.1545 59.5901 40.4321 174.4340 64 Q 5.1752 8.9567 125.2090 54.3888 32.0907 174.8411 65 T 4.8739 8.6096 112.5131 59.3920 72.4335 174.4663 66 A 3.7739 8.2725 123.3196 55.1210 18.1243 177.9213 67 Y 4.8047 7.2521 111.2239 57.6020 38.7386 174.0798 68 G 3.7992 7.3418 106.2267 44.0777 0.0000 172.3988 69 E 5.2109 8.5417 118.1800 55.1635 31.6716 175.5386 70 M 4.8602 9.0908 121.9132 53.7461 36.4661 173.4861 71 K 5.0931 8.6251 125.6412 54.5949 34.5344 175.5583 72 S 4.6223 8.8207 122.6486 57.9720 64.8163 173.0165 73 E 4.9438 8.4828 120.2806 54.1777 32.5340 176.0502 74 K 4.1007 8.4859 121.6937 56.8302 32.3500 176.7282 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 4.86 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.14 0.00 3.01 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 10 V 9.17 4.62 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 0.57 0.00 0.00 0.85 0.00 0.00 11 V 8.74 4.85 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 1.00 0.00 0.00 1.15 0.00 0.00 12 I 8.88 5.05 1.85 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 1.09 0.48 0.89 0.00 0.00 13 K 8.94 5.01 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.88 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.96 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 0.69 0.00 0.00 0.98 0.00 0.00 16 E 7.87 4.77 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 17 D 8.36 4.41 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 8.80 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 19 V 7.53 4.02 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 1.01 0.00 0.00 1.03 0.00 0.00 20 N 9.11 5.41 0.00 2.68 2.61 0.00 0.00 6.29 8.45 0.00 0.00 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 8.96 4.62 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 22 I 8.71 4.67 1.42 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.40 -0.11 0.00 0.00 23 G 8.81 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.76 5.49 0.00 1.76 1.70 1.04 0.62 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 25 T 8.78 4.41 4.32 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 1.35 0.00 0.00 26 R 7.98 4.41 0.00 1.91 2.00 0.00 3.28 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 1.44 0.00 27 G 8.78 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.48 3.97 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 7.81 4.80 0.00 2.71 2.65 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 30 T 8.28 4.65 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 31 K 9.04 4.81 0.00 1.73 1.68 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 32 F 9.05 4.97 0.00 2.80 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 33 H 9.02 4.94 0.00 3.13 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 7.53 4.65 0.00 3.31 3.09 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 8.35 4.83 0.00 3.80 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 36 E 9.23 4.41 0.00 2.16 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 2.27 2.33 0.00 37 K 8.62 4.72 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 L 8.98 4.77 0.00 1.51 1.52 0.90 0.83 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 39 D 8.71 4.77 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.86 0.00 1.70 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 G 9.22 3.96 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 0.00 0.00 0.00 42 E 7.95 4.54 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 2.28 2.32 0.00 43 V 8.15 4.87 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 0.81 0.00 0.00 0.92 0.00 0.00 44 I 9.01 4.59 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.56 0.88 0.00 0.00 45 I 8.41 4.92 1.69 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 1.19 0.61 0.63 0.00 0.00 46 A 8.87 4.71 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.53 4.90 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 48 F 8.47 4.75 0.00 2.99 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 49 T 9.03 4.74 4.29 0.00 0.00 0.00 0.00 0.00 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 50 E 8.92 3.93 0.00 1.81 1.96 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 2.30 2.40 0.00 51 H 7.85 4.62 0.00 3.12 3.25 0.00 5.75 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 8.09 5.32 4.35 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 1.35 0.00 0.00 53 S 8.92 5.05 0.00 3.77 4.07 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 0.00 0.00 0.00 0.00 54 A 7.93 5.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.97 1.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.81 0.00 0.00 56 K 8.89 4.66 0.00 1.44 1.58 0.00 1.66 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.28 7.81 57 V 8.28 4.78 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 0.76 0.00 0.00 0.90 0.00 0.00 58 R 9.03 4.47 0.00 1.87 1.69 0.00 3.14 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 59 G 9.01 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.70 4.66 0.00 2.06 1.84 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 2.34 2.31 0.00 61 A 8.74 4.99 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 8.75 4.84 0.00 1.78 1.54 0.97 0.83 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 63 I 8.90 5.03 1.97 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 1.22 0.69 0.90 0.00 0.00 64 Q 8.96 5.18 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 65 T 8.61 4.87 3.96 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 1.15 0.00 0.00 66 A 8.27 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.25 4.80 0.00 3.04 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 68 G 7.34 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 69 E 8.54 5.21 0.00 1.86 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 2.23 2.29 0.00 70 M 9.09 4.86 0.00 2.07 1.84 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 2.49 2.53 0.00 71 K 8.63 5.09 0.00 1.75 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.45 7.81 72 S 8.82 4.62 0.00 3.99 3.96 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 73 E 8.48 4.94 0.00 1.84 1.87 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 2.21 2.21 0.00 74 K 8.49 4.10 0.00 1.72 1.69 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81