NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2168 8.2644 123.5812 52.6014 19.8253 176.5127 3 R 4.1215 7.8410 117.5225 55.5545 30.4006 172.7868 4 R 4.2813 8.1439 124.0722 56.3143 32.1220 176.2207 5 T 4.6739 8.0823 108.2292 59.9378 72.6881 172.8436 6 W 4.1745 9.1791 128.0595 61.4786 30.5287 177.3751 7 L 3.2615 8.4990 118.6883 58.2419 41.5354 179.6201 8 G 3.6869 7.8760 104.2001 48.0207 0.0000 175.1163 9 D 4.4087 8.3796 121.5786 57.2739 40.7302 178.7473 10 I 3.6111 6.9524 118.5635 63.9791 36.9676 177.4421 11 L 4.3316 7.5960 117.5970 54.8355 41.7855 178.2552 12 R 3.7346 7.8915 119.8414 58.9583 29.9607 175.3827 13 P 4.3235 0.0000 0.0000 65.7916 31.5333 178.2160 14 L 3.7199 7.0530 119.3054 56.1824 41.6574 176.8367 15 N 4.8562 7.3002 116.4037 51.8526 39.3921 171.7086 16 S 4.7068 7.9772 121.1578 59.1435 68.4108 177.8064 17 E 4.5855 8.6321 119.6028 58.4795 30.7768 177.8455 18 Y 4.0168 8.9143 114.7094 58.8130 39.2907 177.9940 19 G 3.2051 8.7281 109.3472 46.6751 0.0000 173.9572 20 K 3.7763 7.5197 121.6407 55.1980 31.6326 181.7208 21 V 4.4776 7.9699 116.6699 58.1606 34.8741 175.6963 22 A 4.3244 8.2217 124.7306 51.0657 19.2709 175.4329 23 P 4.6463 0.0000 0.0000 62.6900 33.7075 176.6246 24 G 4.0523 8.2503 108.3788 47.3535 0.0000 174.0927 25 W 4.2879 9.5035 123.4354 58.3998 30.2603 178.1397 26 G 3.9304 7.1292 106.6573 44.9568 0.0000 178.7298 27 T 4.2815 8.6925 119.7987 63.0222 68.8593 175.8901 28 T 3.7414 7.6830 118.9360 66.3919 68.2406 173.3737 29 P 4.3613 0.0000 0.0000 66.3713 31.5076 177.7673 30 L 4.1905 8.0025 119.4024 57.9464 42.0959 178.4427 31 M 4.1211 8.1942 117.9979 58.6149 32.4646 177.7826 32 A 4.2399 8.5918 120.2636 53.9453 18.3748 179.0769 33 V 3.9211 7.6191 116.4627 65.1400 32.0973 177.8976 34 F 3.9915 8.3602 117.0515 60.5357 38.7900 176.9464 35 M 4.3189 8.4423 118.1163 59.0025 32.1721 178.7070 36 G 3.7062 7.8068 104.1942 47.5357 0.0000 175.7890 37 L 4.0986 8.2276 121.6738 57.5958 41.6425 179.1740 38 F 4.6997 9.1702 121.4388 61.4346 39.5210 176.6637 39 L 3.8263 8.2220 119.9983 58.4525 41.9356 179.2689 40 V 3.6576 7.8159 117.4839 65.6118 31.4484 177.7365 41 F 4.3773 8.5084 120.7652 61.3535 39.3010 177.0559 42 L 3.2940 7.8917 118.8043 57.6460 41.3251 179.1335 43 L 4.0261 7.5701 119.5957 58.4492 41.7543 179.0683 44 I 3.7686 7.5801 119.6499 64.2143 37.1916 178.3038 45 I 3.6933 7.7790 113.9081 64.0905 37.1547 177.6511 46 L 3.9258 8.3936 122.7187 57.9902 42.0147 178.5889 47 E 4.0281 8.6403 118.8432 59.0423 29.5535 179.5858 48 I 4.0896 7.7697 121.7216 63.6277 37.1007 177.5500 49 Y 4.0909 7.7010 119.1276 60.3074 38.6768 176.4165 50 N 4.6690 8.2076 115.3279 52.7356 39.0384 174.4681 51 S 3.8091 7.5913 112.5618 60.2277 61.2425 173.5616 52 T 4.1480 8.0311 118.2269 64.3769 69.1447 174.7619 53 L 4.5425 7.5909 122.7525 52.9657 42.4639 174.8558 54 I 4.2375 7.9338 125.5428 60.4706 38.3057 176.6304 55 L 4.4279 8.0880 123.2543 52.8707 43.6206 175.0932 56 D 4.4431 8.7059 122.9766 54.5758 39.3744 176.0383 57 G 3.9538 8.8577 114.5475 45.3758 0.0000 173.7782 58 V 3.9949 8.3405 120.8843 59.8499 31.5139 175.2206 59 N 4.6784 8.3192 124.7759 51.6391 39.2752 175.7012 60 V 3.8657 7.8931 123.3369 60.6076 29.4974 174.6163 61 S 4.5595 7.1190 117.1827 56.4512 67.6348 175.6690 62 W 3.8616 8.6037 120.3705 59.5682 28.6521 177.5065 63 K 4.1970 7.6115 117.2440 57.1083 32.5581 177.4604 64 A 3.7599 8.7729 123.1000 53.2512 16.0448 176.3965 65 L 4.8242 7.5254 117.3966 53.3730 45.2549 176.7688 66 G 3.8085 8.4212 108.1970 46.5147 0.0000 172.8711 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 2 A 8.26 4.22 1.27 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 0.00 0.00 0.00 3 R 7.84 4.12 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 4 R 8.14 4.28 0.00 1.85 2.00 0.00 3.51 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 5 T 8.08 4.67 4.33 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 1.28 0.00 0.00 6 W 9.18 4.17 0.00 3.42 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 7 L 8.50 3.26 0.00 2.04 1.73 0.80 1.01 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 8 G 7.88 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 9 D 8.38 4.41 0.00 2.66 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 10 I 6.95 3.61 1.51 0.00 0.00 -1.09 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 -0.02 0.64 0.00 0.00 11 L 7.60 4.33 0.00 1.62 1.62 0.90 0.65 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 12 R 7.89 3.73 0.00 1.78 2.19 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 13 P 0.00 4.32 0.00 2.22 2.25 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 14 L 7.05 3.72 0.00 1.77 1.79 0.88 0.93 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 15 N 7.30 4.86 0.00 2.56 2.67 0.00 0.00 7.06 7.49 0.00 0.00 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 S 7.98 4.71 0.00 3.98 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 17 E 8.63 4.59 0.00 2.00 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 2.32 2.30 0.00 18 Y 8.91 4.02 0.00 2.92 2.35 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 19 G 8.73 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 0.00 0.00 0.00 20 K 7.52 3.78 0.00 1.83 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.31 7.81 21 V 7.97 4.48 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 0.87 0.00 0.00 0.88 0.00 0.00 22 A 8.22 4.32 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.65 0.00 2.24 2.17 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 24 G 8.25 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 0.00 0.00 0.00 25 W 9.50 4.29 0.00 3.46 3.36 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 26 G 7.13 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 27 T 8.69 4.28 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 1.23 0.00 0.00 28 T 7.68 3.74 4.65 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 1.41 0.00 0.00 29 P 0.00 4.36 0.00 2.28 2.29 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 30 L 8.00 4.19 0.00 1.88 1.96 1.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.19 4.12 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 32 A 8.59 4.24 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.62 3.92 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 0.98 0.00 0.00 1.00 0.00 0.00 34 F 8.36 3.99 0.00 3.14 3.11 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 35 M 8.44 4.32 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 36 G 7.81 3.71 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 0.00 0.00 0.00 37 L 8.23 4.10 0.00 1.90 1.79 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.17 4.70 0.00 3.19 3.38 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 39 L 8.22 3.83 0.00 1.96 1.92 0.94 0.76 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 40 V 7.82 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 0.98 0.00 0.00 1.04 0.00 0.00 41 F 8.51 4.38 0.00 3.10 3.34 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 0.00 42 L 7.89 3.29 0.00 1.34 1.34 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.57 4.03 0.00 1.73 1.82 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.58 3.77 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.96 0.00 0.00 45 I 7.78 3.69 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.79 0.00 0.00 46 L 8.39 3.93 0.00 1.66 1.85 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.64 4.03 0.00 2.10 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 2.32 2.51 0.00 48 I 7.77 4.09 2.01 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 1.71 0.86 0.00 0.00 49 Y 7.70 4.09 0.00 3.10 2.88 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 50 N 8.21 4.67 0.00 2.75 2.79 0.00 0.00 7.35 7.25 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 51 S 7.59 3.81 0.00 4.08 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 52 T 8.03 4.15 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 1.27 0.00 0.00 53 L 7.59 4.54 0.00 1.63 1.66 0.93 1.06 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 54 I 7.93 4.24 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 1.41 0.94 0.91 0.00 0.00 55 L 8.09 4.43 0.00 1.63 1.54 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 4.44 0.00 2.75 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 57 G 8.86 3.95 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 0.00 0.00 0.00 58 V 8.34 3.99 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 0.74 0.00 0.00 0.88 0.00 0.00 59 N 8.32 4.68 0.00 2.64 2.75 0.00 0.00 7.27 7.71 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 60 V 7.89 3.87 1.97 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 0.62 0.00 0.00 0.89 0.00 0.00 61 S 7.12 4.56 0.00 3.82 3.76 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 62 W 8.60 3.86 0.00 3.33 3.30 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 63 K 7.61 4.20 0.00 1.77 1.82 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.58 7.81 64 A 8.77 3.76 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 65 L 7.53 4.82 0.00 1.79 1.72 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.42 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00