NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5109 8.1076 122.4602 52.2234 20.7091 174.9801 3 T 4.8177 8.2405 108.0495 59.1637 72.2480 167.8351 4 V 4.3456 8.9969 123.5536 61.1008 34.1895 175.3312 5 K 5.2051 8.4697 129.1653 54.9657 34.1527 174.8486 6 F 4.8901 8.3752 119.3635 56.3535 41.6074 172.4865 7 K 5.0488 8.9227 119.2681 54.9305 34.3548 175.4524 8 Y 4.5062 8.9868 125.2143 56.9611 41.9252 175.1772 9 K 3.8096 9.2614 127.7709 57.6612 29.5827 175.5816 10 G 3.9535 8.1368 101.4830 45.9218 0.0000 172.6368 11 E 4.6738 8.0098 118.8100 53.9116 32.6300 174.6435 12 E 4.4396 8.6386 124.0484 55.9201 30.6128 175.7504 13 K 4.4793 8.7459 125.6020 54.5975 36.4050 175.4560 14 E 4.8012 8.3638 123.5592 55.4011 31.7739 173.9393 15 V 4.3546 8.7988 128.3048 60.4707 34.3007 174.6647 16 D 4.7609 8.6421 127.0623 54.3562 41.9008 177.2053 17 I 3.6938 8.7852 127.4661 63.9798 37.3458 178.5938 18 S 4.1566 8.4566 114.9701 60.8957 62.9243 175.5803 19 K 4.2204 8.1874 119.5208 57.4726 32.2796 176.8083 20 I 4.1297 7.4802 121.1397 61.5762 37.0430 175.3015 21 K 4.3094 8.9347 128.7626 58.0560 32.1741 176.2556 22 K 5.0318 8.5610 120.5687 54.5423 36.0183 174.6922 23 V 5.1451 8.5520 124.1222 59.9917 34.5421 174.2496 24 W 5.3713 8.9297 119.6025 55.3099 32.1209 173.1381 25 R 4.8793 8.7438 120.9883 54.9729 31.4192 176.5322 26 V 4.4266 8.7427 125.7845 61.1232 32.7988 177.0084 27 G 3.9551 8.0770 118.6486 46.4120 0.0000 173.3611 28 K 4.2514 8.7793 126.6399 56.5576 32.7698 175.0496 29 M 4.7274 7.9964 120.8849 54.6023 33.9110 174.7887 30 I 4.6435 8.7793 127.5195 59.9819 39.0374 174.4817 31 S 4.6475 8.4098 123.2401 56.4786 64.7050 172.7313 32 F 4.9441 7.6121 119.8679 56.1004 41.6968 172.5862 33 T 5.3614 9.1731 109.2480 60.3718 72.0825 172.4432 34 Y 5.4742 8.4462 119.3743 55.8411 41.9858 173.5169 35 D 4.9791 8.9999 121.3632 54.4544 41.7487 175.6443 36 E 4.8859 8.8320 122.5447 54.0372 33.6086 175.6712 37 G 3.7108 8.6457 109.1069 46.4336 0.0000 173.8749 38 G 3.6966 9.2164 105.0203 46.0220 0.0000 174.2614 39 G 3.8775 8.2072 104.6303 46.0286 0.0000 174.2392 40 K 4.5410 7.6799 118.6458 55.0030 34.9293 175.5340 41 T 4.7754 8.2520 117.8398 61.9040 70.7703 174.5982 42 G 3.3470 8.2409 114.3638 44.9870 0.0000 172.3638 43 R 5.0799 7.7787 118.2237 54.4422 33.5548 175.3573 44 G 3.2371 8.0059 107.0868 45.2943 0.0000 171.8181 45 A 4.8304 7.5980 120.6105 50.5946 22.2845 175.8921 46 V 4.6122 8.7735 113.3233 59.4337 36.9909 174.8109 47 S 4.6331 8.5812 116.7262 58.0910 62.9408 174.7336 48 E 3.9292 8.8680 124.3831 59.4976 29.3323 178.6660 49 K 4.0423 7.8741 119.7345 59.3999 31.7160 177.5142 50 D 3.9895 8.0359 117.0561 55.5934 41.6031 177.1946 51 A 3.6571 8.3697 128.3511 50.6601 15.9515 175.5534 52 P 4.3958 0.0000 0.0000 63.2645 33.3792 177.8831 53 K 4.0125 8.5571 120.1384 59.3277 31.8645 179.3443 54 E 3.8693 8.0719 119.4286 59.1373 29.4571 178.5290 55 L 3.8293 7.7023 119.7617 58.1938 42.1588 178.7294 56 L 3.9808 7.8924 118.9222 57.8928 41.4787 179.5881 57 Q 4.0135 8.4448 118.4637 59.1060 28.3726 178.5518 58 M 4.1139 7.5245 118.9977 58.3510 32.2329 177.9828 59 L 4.0730 7.6283 120.7556 58.3110 42.0161 178.7282 60 E 3.9962 7.9051 117.3681 59.3821 29.5851 178.5256 61 K 4.3417 8.3379 116.5235 57.3951 32.3002 176.5868 62 Q 4.3605 8.2494 116.1528 52.2749 32.0029 175.6726 63 K 4.4765 8.4070 116.8180 57.3122 30.5266 175.9174 64 K 4.1867 7.6542 123.4813 56.8194 33.1618 176.1825 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 8.11 4.51 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 3 T 8.24 4.82 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 1.18 0.00 0.00 4 V 9.00 4.35 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 0.84 0.00 0.00 0.63 0.00 0.00 5 K 8.47 5.21 0.00 1.81 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.41 7.81 6 F 8.38 4.89 0.00 3.29 3.14 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 0.00 0.00 0.00 0.00 7 K 8.92 5.05 0.00 1.69 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 Y 8.99 4.51 0.00 3.20 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 9 K 9.26 3.81 0.00 1.95 1.80 0.00 2.11 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 0.85 7.81 10 G 8.14 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 11 E 8.01 4.67 0.00 2.17 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 2.23 2.37 0.00 12 E 8.64 4.44 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 2.23 2.30 0.00 13 K 8.75 4.48 0.00 0.79 0.91 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.09 1.05 7.81 14 E 8.36 4.80 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 15 V 8.80 4.35 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 0.68 0.00 0.00 0.33 0.00 0.00 16 D 8.64 4.76 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.79 3.69 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.83 0.00 0.00 18 S 8.46 4.16 0.00 3.96 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 19 K 8.19 4.22 0.00 2.00 2.02 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 20 I 7.48 4.13 1.84 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 0.81 0.00 0.00 21 K 8.93 4.31 0.00 1.81 2.01 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.43 7.81 22 K 8.56 5.03 0.00 2.02 1.91 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.57 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.57 7.81 23 V 8.55 5.15 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 0.85 0.00 0.00 0.94 0.00 0.00 24 W 8.93 5.37 0.00 3.36 3.28 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 25 R 8.74 4.88 0.00 1.87 1.92 0.00 3.21 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 26 V 8.74 4.43 2.12 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 1.01 0.00 0.00 1.14 0.00 0.00 27 G 8.08 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 28 K 8.78 4.25 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.42 7.81 29 M 8.00 4.73 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 30 I 8.78 4.64 1.86 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 1.09 0.87 0.88 0.00 0.00 31 S 8.41 4.65 0.00 3.29 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.61 4.94 0.00 3.13 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 33 T 9.17 5.36 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 1.49 0.00 0.00 34 Y 8.45 5.47 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 35 D 9.00 4.98 0.00 2.66 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 36 E 8.83 4.89 0.00 1.85 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 2.27 1.91 0.00 37 G 8.65 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 38 G 9.22 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 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 40 K 7.68 4.54 0.00 1.84 1.68 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 41 T 8.25 4.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 42 G 8.24 3.35 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 0.00 0.00 0.00 43 R 7.78 5.08 0.00 1.32 1.60 0.00 3.35 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 44 G 8.01 3.24 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 0.00 45 A 7.60 4.83 1.01 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 0.00 0.00 46 V 8.77 4.61 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 0.84 0.00 0.00 0.97 0.00 0.00 47 S 8.58 4.63 0.00 3.92 3.73 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 48 E 8.87 3.93 0.00 2.01 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 0.00 2.40 2.30 0.00 49 K 7.87 4.04 0.00 1.72 1.92 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.38 7.81 50 D 8.04 3.99 0.00 2.65 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 51 A 8.37 3.66 1.38 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 52 P 0.00 4.40 0.00 2.09 1.94 0.00 3.52 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 53 K 8.56 4.01 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 54 E 8.07 3.87 0.00 1.99 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 2.33 2.34 0.00 55 L 7.70 3.83 0.00 1.62 1.73 0.54 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.89 3.98 0.00 1.86 1.69 0.95 0.85 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 57 Q 8.44 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 58 M 7.52 4.11 0.00 1.94 2.29 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 2.79 2.53 0.00 59 L 7.63 4.07 0.00 1.90 1.66 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.91 4.00 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 61 K 8.34 4.34 0.00 1.78 1.89 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.61 7.81 62 Q 8.25 4.36 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.24 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 63 K 8.41 4.48 0.00 1.92 1.91 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.41 7.81 64 K 7.65 4.19 0.00 1.52 1.63 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.63 7.81