NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1674 8.0093 121.4544 61.3781 39.4389 176.3091 5 N 4.4474 7.6873 118.4553 51.5598 39.6036 174.1036 6 I 3.6761 8.4543 122.2094 64.2000 38.4890 179.1660 7 Q 3.8067 8.0303 119.9088 59.3632 28.8736 177.8366 8 D 4.3601 9.3432 120.7162 57.5102 40.9207 178.9518 9 Q 3.9879 7.8682 118.2126 58.9089 28.7664 178.4993 10 F 3.9045 8.1286 121.4854 61.5485 39.5206 177.2582 11 L 3.6867 7.9380 118.5306 57.4594 41.1240 179.0295 12 N 4.5470 8.4227 117.5307 56.6101 38.8337 176.5829 13 Q 3.8803 8.5209 121.6260 59.2834 29.2352 178.4180 14 I 3.8709 7.4069 115.3066 63.2491 37.3754 178.0783 15 R 4.0159 7.7544 121.5393 58.7315 29.8121 178.2281 16 K 3.7957 7.9006 117.2925 59.7549 32.1343 177.7803 17 E 4.2864 8.2923 114.4158 55.6614 29.4993 175.9111 18 N 4.1374 7.8936 115.2458 54.0036 37.2781 174.6536 19 T 4.0391 7.6680 113.8486 63.8933 70.0224 173.9821 20 Y 4.5873 8.8488 124.2674 58.1840 39.3100 175.3940 21 V 4.8514 8.7928 122.7920 60.3916 35.5437 174.3120 22 T 4.6623 8.8446 120.5231 62.7036 70.1545 173.7783 23 V 4.3756 8.7197 127.1880 61.3844 33.2296 174.4667 24 F 5.0287 9.0342 127.4590 56.4629 40.8649 175.5018 25 L 4.9696 8.7944 122.6317 52.7806 44.0729 177.5283 26 L 3.9159 8.8504 121.2871 57.9579 41.5778 178.4606 27 N 4.6328 8.2281 112.8921 52.6857 37.6311 175.8612 28 G 4.0258 8.3960 108.4584 45.0526 0.0000 173.9271 29 F 4.3260 8.3832 122.9196 58.4465 40.6510 173.7563 30 Q 4.8299 6.9813 121.2136 54.1867 31.2211 174.3344 31 L 4.8289 8.6688 122.0118 53.0246 44.9514 175.6844 32 R 5.6682 8.8681 120.1149 53.2041 33.7753 175.8933 33 G 3.9566 7.4192 105.5312 46.7182 0.0000 170.5061 34 Q 5.0904 7.6970 118.0195 53.6279 31.9919 175.7059 35 V 4.2267 8.3416 123.3406 63.2202 32.1295 176.2149 36 K 4.3834 9.1442 127.4529 56.2752 33.6484 176.2462 37 G 4.1621 7.7839 106.9961 46.5363 0.0000 171.4867 38 F 5.4339 7.9346 113.6228 56.4994 40.1838 173.4067 39 D 4.6280 9.0076 118.1420 52.5364 41.5772 175.4552 40 N 4.0330 9.0258 114.6166 56.1749 38.8432 175.5148 41 F 5.1285 8.3147 114.7705 57.3069 42.1900 175.3561 42 T 5.1989 9.1963 108.3497 59.8740 72.8166 173.0041 43 V 4.8165 9.0530 122.7140 61.1874 34.8295 174.0846 44 L 5.0199 9.2539 130.9059 53.7932 42.9468 174.6741 45 L 5.0342 8.7314 129.0806 53.5255 44.8743 174.6924 46 E 4.9974 9.3024 125.1745 54.6730 32.2582 174.8118 47 S 4.6698 8.5943 124.0049 57.0144 64.4190 173.4045 48 E 3.6535 9.5667 125.8573 57.0279 26.0434 175.7849 49 G 3.9393 8.1824 109.2899 45.3038 0.0000 171.2698 50 K 4.2448 7.8689 121.1769 54.5086 31.4799 175.0290 51 Q 4.4211 8.4969 124.3594 56.7694 29.4232 177.0814 52 Q 4.5036 9.3876 122.2786 53.9759 32.6195 174.0552 53 L 4.7475 8.6389 126.6351 54.0893 43.0655 175.3380 54 I 4.4930 8.7244 128.3339 59.5864 39.7124 175.1290 55 Y 4.5591 8.4533 124.5499 57.3329 38.7173 176.6033 56 K 3.9350 9.3396 125.1199 60.0038 32.3965 178.8375 57 H 4.2205 8.3581 112.2997 57.6345 28.6726 175.5988 58 A 4.5743 8.2484 122.4323 51.9803 19.4965 176.0842 59 I 4.5110 7.6798 117.9999 60.0424 38.6124 175.5742 60 S 4.4412 8.8862 121.2852 60.7363 62.7891 174.2814 61 T 4.6770 7.5295 114.8043 62.1860 73.0929 172.2686 62 F 5.1523 8.9054 124.2738 56.0384 40.7007 175.1017 63 A 4.8984 9.5625 127.1551 49.4953 20.9113 173.6830 64 P 4.6819 0.0000 0.0000 62.9126 31.7400 177.0384 65 Q 4.0276 8.4353 123.6571 58.1216 29.1950 176.5727 66 K 4.5123 7.7181 118.3921 53.9932 33.7734 175.1961 67 N 4.4645 8.7540 123.9990 53.4690 39.1239 174.4228 68 V 4.2971 8.0379 120.1299 60.9635 34.4833 174.3649 69 Q 4.5276 8.3512 124.3188 54.2800 29.8551 174.8550 70 L 4.8237 8.2120 124.4415 53.0220 45.3561 175.8227 71 E 4.3737 9.6085 123.9313 55.3106 29.5413 176.4828 72 L 4.3155 8.3926 123.1596 54.7535 41.9910 176.6877 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 4 I 8.01 4.17 1.88 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 1.48 1.07 0.92 0.00 0.00 5 N 7.69 4.45 0.00 3.07 2.95 0.00 0.00 5.71 6.80 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 6 I 8.45 3.68 1.88 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 1.52 1.20 0.89 0.00 0.00 7 Q 8.03 3.81 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 8 D 9.34 4.36 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.87 3.99 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 10 F 8.13 3.90 0.00 3.17 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 11 L 7.94 3.69 0.00 0.38 0.30 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.42 4.55 0.00 3.18 2.88 0.00 0.00 6.81 7.76 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 13 Q 8.52 3.88 0.00 2.30 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 14 I 7.41 3.87 1.71 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 1.38 1.58 0.32 0.00 0.00 15 R 7.75 4.02 0.00 2.25 2.19 0.00 3.26 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 K 7.90 3.80 0.00 2.05 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 17 E 8.29 4.29 0.00 1.90 1.95 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 2.31 2.31 0.00 18 N 7.89 4.14 0.00 2.81 2.79 0.00 0.00 6.93 7.55 0.00 0.00 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 T 7.67 4.04 4.17 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 0.00 0.00 1.20 0.00 0.00 20 Y 8.85 4.59 0.00 2.99 2.93 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 21 V 8.79 4.85 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 0.97 0.00 0.00 1.26 0.00 0.00 22 T 8.84 4.66 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 0.23 0.00 0.00 23 V 8.72 4.38 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 0.66 0.00 0.00 0.95 0.00 0.00 24 F 9.03 5.03 0.00 2.85 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 25 L 8.79 4.97 0.00 1.71 1.74 1.08 0.63 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 26 L 8.85 3.92 0.00 1.64 1.79 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.23 4.63 0.00 2.85 2.96 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.40 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.38 4.33 0.00 3.24 3.04 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 0.00 0.00 0.00 0.00 30 Q 6.98 4.83 0.00 1.41 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.50 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 31 L 8.67 4.83 0.00 1.56 1.59 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.87 5.67 0.00 1.72 1.88 0.00 3.40 0.00 0.00 3.87 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 33 G 7.42 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 34 Q 7.70 5.09 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 1.93 1.49 0.00 35 V 8.34 4.23 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 1.10 0.00 0.00 0.94 0.00 0.00 36 K 9.14 4.38 0.00 1.63 1.83 0.00 2.11 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 37 G 7.78 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 0.00 0.00 0.00 38 F 7.93 5.43 0.00 3.11 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 39 D 9.01 4.63 0.00 2.87 2.79 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 40 N 9.03 4.03 0.00 2.54 2.28 0.00 0.00 6.55 7.45 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 41 F 8.31 5.13 0.00 3.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.20 5.20 4.19 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 0.00 0.00 0.00 1.00 0.00 0.00 43 V 9.05 4.82 2.29 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 1.02 0.00 0.00 1.13 0.00 0.00 44 L 9.25 5.02 0.00 1.77 1.70 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.73 5.03 0.00 1.88 1.53 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.30 5.00 0.00 1.96 1.72 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 2.18 2.24 0.00 47 S 8.59 4.67 0.00 3.83 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 48 E 9.57 3.65 0.00 2.20 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 2.35 2.36 0.00 49 G 8.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.24 0.00 1.81 1.95 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 51 Q 8.50 4.42 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 52 Q 9.39 4.50 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 53 L 8.64 4.75 0.00 1.57 1.48 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.72 4.49 1.91 0.00 0.00 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 1.24 0.60 0.93 0.00 0.00 55 Y 8.45 4.56 0.00 2.84 2.40 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 56 K 9.34 3.93 0.00 1.88 1.98 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.61 1.54 7.81 57 H 8.36 4.22 0.00 3.28 3.54 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.25 4.57 1.43 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 0.00 0.00 0.00 59 I 7.68 4.51 1.97 0.00 0.00 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 1.02 0.75 0.50 0.00 0.00 60 S 8.89 4.44 0.00 3.85 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 0.00 61 T 7.53 4.68 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 1.20 0.00 0.00 62 F 8.91 5.15 0.00 2.72 3.21 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 0.00 0.00 0.00 0.00 63 A 9.56 4.90 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.68 0.00 2.13 1.99 0.00 3.90 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 65 Q 8.44 4.03 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 66 K 7.72 4.51 0.00 1.72 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.47 7.81 67 N 8.75 4.46 0.00 2.74 2.75 0.00 0.00 6.89 7.68 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 68 V 8.04 4.30 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 0.56 0.00 0.00 0.71 0.00 0.00 69 Q 8.35 4.53 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 70 L 8.21 4.82 0.00 1.64 1.53 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.61 4.37 0.00 2.00 1.92 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 2.30 2.27 0.00 72 L 8.39 4.32 0.00 1.60 1.56 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00