NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2911 8.4444 118.8021 56.1184 29.8487 173.4435 3 S 4.1540 8.1323 121.5504 57.4588 63.5174 173.8485 4 F 4.0561 9.3013 130.1211 61.2957 40.2110 176.3564 5 L 3.9487 8.1783 119.4906 58.1247 41.9143 178.0892 6 L 3.9546 7.8227 120.3748 58.6368 41.9314 179.3172 7 S 4.1218 7.8151 113.7168 61.0476 63.0389 176.6110 8 K 3.7613 7.7515 122.2142 59.2046 31.9217 179.2681 9 V 3.7246 8.1145 119.1288 66.2407 31.6052 178.1504 10 S 4.3002 8.4352 113.5614 60.7409 62.9458 176.1625 11 F 3.9785 8.2011 124.9980 61.2355 39.1350 177.2571 12 V 3.4769 7.9161 117.8804 65.7861 31.2353 178.0827 13 I 3.8174 7.7044 119.3205 64.2277 36.9556 178.3549 14 K 3.9764 7.8392 120.1829 59.1932 32.0361 178.6471 15 K 3.6489 7.7816 120.0243 59.7478 31.9745 178.8480 16 I 3.7306 7.7970 119.9228 64.0408 37.0005 178.3092 17 R 3.8591 7.9787 119.7297 59.5043 29.8901 178.6663 18 L 3.9715 7.9875 118.6618 57.7020 41.3924 179.0408 19 E 3.9514 7.9614 117.5234 59.5690 29.6034 179.2502 20 K 4.2494 8.2475 115.5868 56.3720 32.2498 177.2909 21 G 3.8847 7.9282 107.3197 46.8544 0.0000 173.3471 22 M 4.7360 7.8363 118.6937 53.2413 34.1597 177.2101 23 T 4.2922 8.6848 114.1670 61.1414 71.5044 175.9500 24 Q 4.0140 8.4308 119.1196 58.9656 28.6852 178.4822 25 E 4.0042 8.2018 119.2042 59.5485 29.4956 178.7833 26 D 4.4303 8.0181 118.7441 57.5171 40.9827 178.8672 27 L 3.9362 8.0543 120.2443 57.9790 42.2308 178.5472 28 A 4.0211 8.4591 121.2022 55.5637 18.4416 178.9648 29 Y 4.0529 8.5289 118.1408 60.9373 38.7007 178.4532 30 K 3.8352 8.2151 117.8520 58.5436 32.2618 178.6552 31 S 4.4185 7.8944 113.6384 57.6844 63.3318 174.0544 32 N 4.1872 7.4202 116.6921 54.2011 36.1870 173.8822 33 L 4.7512 7.3698 116.2940 52.6523 44.6374 176.5440 34 D 4.5653 8.3089 119.0359 53.9313 43.1364 176.8968 35 R 3.9840 8.7437 125.7840 59.9598 30.1363 179.3032 36 T 3.9275 7.9879 108.7230 64.9994 68.0833 175.6206 37 Y 4.2151 8.0073 121.7700 60.4715 38.9337 177.7146 38 I 3.5543 7.6510 120.2298 64.5076 37.2840 178.0543 39 S 4.1646 8.1478 113.9900 61.6762 62.1958 176.6537 40 G 3.5813 8.2380 108.1935 47.8422 0.0000 175.7516 41 I 3.6011 7.6785 121.7089 63.9883 37.1296 177.8558 42 E 4.2176 7.9871 118.0953 57.5963 29.5984 177.6126 43 R 4.4606 7.9115 116.7695 56.7088 32.4571 176.5039 44 N 4.9672 7.9288 113.7623 53.1173 37.5021 174.0894 45 S 3.7763 8.2680 107.7767 60.2752 61.1162 173.3437 46 R 3.9830 7.5809 118.2495 56.3341 30.1749 176.5769 47 N 4.7505 8.5314 120.7822 53.1977 40.0806 173.7198 48 L 4.6789 8.1296 118.1755 54.4953 43.0263 175.5287 49 T 4.4422 8.2849 112.0886 60.7654 71.6369 175.9310 50 I 3.7318 8.2005 122.1231 64.5649 37.0789 178.6952 51 K 3.9280 8.0692 118.7202 59.7969 31.8724 179.4167 52 S 4.1892 8.0776 114.9519 61.2328 62.7003 176.4854 53 L 3.8073 7.9334 123.2665 58.1222 41.7721 178.7050 54 E 3.9273 8.3844 119.5876 59.1337 29.5120 178.7997 55 L 3.9867 7.9916 119.2646 57.6014 41.5586 179.5572 56 I 3.6302 7.7880 119.8406 64.7557 37.1049 178.1841 57 M 3.8840 8.1588 119.8945 58.4275 31.7159 178.8733 58 K 4.0191 7.9176 119.4156 59.4049 32.1656 179.1985 59 G 3.5943 7.8396 105.0621 47.7347 0.0000 175.3785 60 L 4.0888 8.1679 119.8644 54.8181 42.7863 176.6677 61 E 3.8634 7.8365 118.1967 57.5569 27.2987 174.7248 62 V 4.5190 7.8670 116.3183 59.2183 35.0230 176.9954 63 S 4.4910 8.3413 116.9075 57.6998 65.4123 174.7641 64 D 4.3617 8.6910 122.6897 57.9394 40.5808 179.3794 65 V 3.7801 7.9678 117.6458 66.5455 31.5421 178.4089 66 V 3.6979 7.7485 111.6780 63.9634 31.2477 178.4149 67 F 3.8543 8.1203 120.4141 61.4424 39.2090 177.3574 68 F 4.4477 8.3785 117.3006 60.3684 38.6571 177.6247 69 E 4.0216 8.5581 118.6877 59.7274 29.2134 179.2217 70 M 3.9913 8.0185 118.6545 58.1002 31.9151 178.4265 71 L 3.8261 7.8376 120.6547 58.2927 42.2931 179.0048 72 I 3.7373 7.9842 119.6779 64.4552 36.8507 178.4038 73 K 3.9219 7.7273 117.7981 59.5318 32.3246 178.6474 74 E 4.0142 8.4047 119.7226 59.4394 29.3732 178.9551 75 I 3.8137 7.9407 118.9871 64.2718 37.2136 178.0197 76 L 4.2855 8.0267 121.0561 57.2286 41.6151 177.7956 77 K 4.1863 7.6080 124.4463 54.6941 31.6503 181.7273 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 E 8.44 4.29 0.00 2.12 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 0.00 2.20 2.28 0.00 3 S 8.13 4.15 0.00 4.01 3.82 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 4 F 9.30 4.06 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.18 3.95 0.00 1.97 1.75 1.04 0.59 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 6 L 7.82 3.95 0.00 1.81 1.69 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.82 4.12 0.00 3.97 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 8 K 7.75 3.76 0.00 1.85 1.78 0.00 1.40 0.00 0.00 1.19 0.00 0.00 2.19 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.80 1.14 7.81 9 V 8.11 3.72 2.27 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 1.19 0.00 0.00 1.11 0.00 0.00 10 S 8.44 4.30 0.00 4.18 4.10 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 0.00 0.00 0.00 0.00 11 F 8.20 3.98 0.00 3.29 3.22 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 12 V 7.92 3.48 1.76 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 0.12 0.00 0.00 0.84 0.00 0.00 13 I 7.70 3.82 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.90 0.00 0.00 14 K 7.84 3.98 0.00 1.88 1.65 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.58 7.81 15 K 7.78 3.65 0.00 1.47 1.74 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.34 7.81 16 I 7.80 3.73 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.92 0.00 0.00 17 R 7.98 3.86 0.00 1.97 2.05 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 18 L 7.99 3.97 0.00 1.79 1.64 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.96 3.95 0.00 2.13 2.01 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 2.32 2.40 0.00 20 K 8.25 4.25 0.00 1.83 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.76 7.81 21 G 7.93 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 22 M 7.84 4.74 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 23 T 8.68 4.29 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 24 Q 8.43 4.01 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 25 E 8.20 4.00 0.00 2.06 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 0.00 2.41 2.49 0.00 26 D 8.02 4.43 0.00 3.02 2.77 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 27 L 8.05 3.94 0.00 1.78 1.82 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.46 4.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.05 0.00 2.99 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 30 K 8.22 3.84 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.70 7.81 31 S 7.89 4.42 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.42 4.19 0.00 2.95 2.88 0.00 0.00 6.83 7.73 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 33 L 7.37 4.75 0.00 1.73 1.75 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.31 4.57 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 3.98 0.00 1.92 2.02 0.00 3.22 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 36 T 7.99 3.93 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 1.24 0.00 0.00 37 Y 8.01 4.22 0.00 3.00 3.19 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 0.00 38 I 7.65 3.55 2.04 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 1.66 0.68 0.89 0.00 0.00 39 S 8.15 4.16 0.00 4.02 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 40 G 8.24 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.68 3.60 1.77 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.06 0.80 0.00 0.00 42 E 7.99 4.22 0.00 1.92 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 2.27 2.43 0.00 43 R 7.91 4.46 0.00 1.82 1.94 0.00 3.37 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 44 N 7.93 4.97 0.00 2.82 2.83 0.00 0.00 6.12 7.64 0.00 0.00 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 S 8.27 3.78 0.00 4.01 3.97 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 0.00 0.00 0.00 0.00 46 R 7.58 3.98 0.00 1.76 1.89 0.00 3.37 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 47 N 8.53 4.75 0.00 2.70 2.79 0.00 0.00 6.88 7.78 0.00 0.00 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 L 8.13 4.68 0.00 1.81 1.56 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.28 4.44 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 1.25 0.00 0.00 50 I 8.20 3.73 1.89 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 1.67 0.99 0.94 0.00 0.00 51 K 8.07 3.93 0.00 1.84 1.87 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.60 7.81 52 S 8.08 4.19 0.00 4.16 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 53 L 7.93 3.81 0.00 1.90 1.67 0.78 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.38 3.93 0.00 2.13 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 2.28 2.32 0.00 55 L 7.99 3.99 0.00 1.92 1.68 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.79 3.63 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.85 0.00 0.00 57 M 8.16 3.88 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 58 K 7.92 4.02 0.00 1.76 2.02 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.84 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.09 0.00 1.78 1.76 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.84 3.86 0.00 2.10 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 0.00 2.25 2.33 0.00 62 V 7.87 4.52 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 0.88 0.00 0.00 0.98 0.00 0.00 63 S 8.34 4.49 0.00 4.11 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 64 D 8.69 4.36 0.00 2.88 3.09 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 0.00 0.00 0.00 65 V 7.97 3.78 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.01 0.00 0.00 66 V 7.75 3.70 2.11 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 0.82 0.00 0.00 0.95 0.00 0.00 67 F 8.12 3.85 0.00 3.04 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 68 F 8.38 4.45 0.00 3.27 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 69 E 8.56 4.02 0.00 2.25 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 2.37 2.41 0.00 70 M 8.02 3.99 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 71 L 7.84 3.83 0.00 1.81 1.92 1.19 1.37 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 72 I 7.98 3.74 2.05 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 1.58 0.95 0.94 0.00 0.00 73 K 7.73 3.92 0.00 1.99 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 74 E 8.40 4.01 0.00 2.19 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 2.31 2.10 0.00 75 I 7.94 3.81 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.73 1.06 0.00 0.00 76 L 8.03 4.29 0.00 1.64 1.73 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 4.19 0.00 1.82 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81