NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2592 8.3044 120.3500 55.0650 33.1582 173.7098 2 K 3.6182 8.7031 120.4001 56.4351 31.5034 175.9336 3 R 4.1538 8.5054 126.0855 56.7568 32.0089 177.2155 4 T 4.2803 7.8417 113.2225 58.8144 65.5702 173.7220 5 F 5.1207 7.0084 120.2915 58.2110 41.7088 172.9973 6 Q 4.3997 8.8225 128.2906 52.2640 29.2697 173.0165 7 P 4.3471 0.0000 0.0000 63.5214 31.7635 177.7659 8 S 4.5471 8.6046 115.0929 55.7916 63.4376 174.5463 9 V 3.5839 8.2498 126.8260 64.4052 31.0246 177.8447 10 L 3.9254 7.8080 119.3648 57.9586 42.3914 178.4472 11 K 4.0155 8.1074 117.7278 59.8699 31.9853 178.4895 12 R 3.8971 8.1762 117.9634 60.4439 29.9942 178.0159 13 N 4.3617 8.7753 116.3226 55.4524 38.4748 176.4498 14 R 4.5448 7.8114 114.7194 56.3613 30.3308 177.1182 15 S 4.6283 8.1897 115.5890 59.7329 64.0325 174.5822 16 H 4.9051 7.7975 114.9499 55.3296 30.9380 173.3634 17 G 4.3795 8.0082 108.7168 44.3947 0.0000 174.8275 18 F 3.9181 9.1467 125.0361 61.3950 38.9674 176.6524 19 R 3.8498 7.7821 119.0974 59.5546 29.3072 177.4729 20 A 4.2546 7.8504 120.8986 54.2022 18.9185 178.3525 21 R 4.1329 7.8795 116.4278 57.3202 29.9525 176.9661 22 M 4.3339 7.9962 116.6276 56.4941 33.7260 176.7048 23 A 4.0036 7.3100 121.5480 54.9861 18.6042 177.7798 24 T 4.3418 7.3884 104.1522 60.5157 71.0431 175.1967 25 K 4.0791 8.3649 120.8101 59.6327 32.3571 178.2241 26 N 4.4430 8.1257 116.3279 56.1397 38.4651 177.2995 27 G 3.7587 8.4363 109.0205 47.2656 0.0000 175.6752 28 R 3.8814 7.8142 120.4159 58.9408 30.1426 177.8459 29 Q 4.1137 8.0626 118.6524 57.8837 28.8918 178.0210 30 V 3.7283 7.7578 119.5054 66.1688 31.8708 177.4798 31 L 3.9915 7.8531 118.4454 58.1529 41.5129 179.6332 32 A 4.1712 8.0287 120.1449 54.7768 18.1819 179.5558 33 R 3.8434 7.6146 117.5948 59.7421 30.0409 179.0135 34 R 3.9936 8.4020 118.0436 59.2041 30.0269 178.8512 35 R 3.8992 8.3090 116.8714 59.3886 30.0682 178.7572 36 A 4.0893 7.8925 119.5591 55.1379 18.6779 179.1608 37 K 3.8875 7.4422 117.0607 57.9912 32.0578 177.2616 38 G 3.8418 8.1898 106.2503 45.4167 0.0000 173.3081 39 R 3.7918 8.0570 118.2129 56.4931 29.7061 175.5956 40 A 4.1567 7.9291 128.3626 54.2661 19.1518 178.6142 41 R 4.2250 7.7746 120.3286 54.1682 28.4347 177.2035 42 L 3.2383 6.7896 117.4815 56.9256 44.0061 176.7236 43 T 4.2897 7.9134 108.8259 62.5133 72.1859 176.3792 44 V 3.1335 8.3023 127.2401 63.9232 28.4164 173.4635 45 S 3.7136 6.7192 116.8551 60.2232 64.0030 175.3656 46 K 3.9879 7.5980 127.5548 56.2757 31.9759 174.8692 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 1 M 8.30 4.26 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.70 3.62 0.00 1.84 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.67 7.81 3 R 8.51 4.15 0.00 1.87 1.96 0.00 3.44 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.84 4.28 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 1.24 0.00 0.00 5 F 7.01 5.12 0.00 2.92 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 6 Q 8.82 4.40 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 7 P 0.00 4.35 0.00 2.07 1.78 0.00 3.51 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 8 S 8.60 4.55 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.58 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 10 L 7.81 3.93 0.00 1.67 1.75 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.11 4.02 0.00 2.03 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.54 7.81 12 R 8.18 3.90 0.00 1.96 2.12 0.00 3.19 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 13 N 8.78 4.36 0.00 3.02 2.91 0.00 0.00 6.77 7.19 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 14 R 7.81 4.54 0.00 1.96 2.03 0.00 3.05 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 15 S 8.19 4.63 0.00 4.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.91 0.00 3.04 3.25 0.00 5.89 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 17 G 8.01 4.38 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 0.00 0.00 0.00 18 F 9.15 3.92 0.00 3.04 3.12 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 19 R 7.78 3.85 0.00 2.00 1.84 0.00 3.42 0.00 0.00 3.35 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 20 A 7.85 4.25 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 21 R 7.88 4.13 0.00 1.95 1.86 0.00 3.07 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 22 M 8.00 4.33 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 23 A 7.31 4.00 1.28 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 0.00 0.00 0.00 24 T 7.39 4.34 4.21 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 1.17 0.00 0.00 25 K 8.36 4.08 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 26 N 8.13 4.44 0.00 2.83 2.84 0.00 0.00 6.85 7.58 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 28 R 7.81 3.88 0.00 1.87 1.94 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 29 Q 8.06 4.11 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 30 V 7.76 3.73 2.26 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 1.06 0.00 0.00 0.94 0.00 0.00 31 L 7.85 3.99 0.00 1.75 1.81 0.53 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.03 4.17 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 33 R 7.61 3.84 0.00 2.11 2.00 0.00 3.14 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 34 R 8.40 3.99 0.00 2.03 1.97 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 35 R 8.31 3.90 0.00 2.00 2.04 0.00 3.31 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 36 A 7.89 4.09 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 37 K 7.44 3.89 0.00 1.70 2.11 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 38 G 8.19 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.06 3.79 0.00 1.94 1.89 0.00 3.29 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 40 A 7.93 4.16 1.25 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 0.00 0.00 0.00 41 R 7.77 4.22 0.00 1.82 1.92 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 42 L 6.79 3.24 0.00 1.63 1.57 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.91 4.29 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 44 V 8.30 3.13 2.13 0.00 0.00 0.00 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 0.96 0.00 0.00 45 S 6.72 3.71 0.00 3.99 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 46 K 7.60 3.99 0.00 1.65 1.64 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.35 7.81