NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 M 4.5415 8.3044 118.8020 53.8194 33.8745 174.7291 26 L 4.3872 7.6082 117.4445 51.5358 45.1623 173.4240 27 S 4.2671 9.3933 121.1647 58.7522 65.5527 174.4507 28 C 3.9098 8.8117 122.7644 63.2610 27.8604 175.8194 29 E 3.8294 8.2587 120.0171 59.7834 28.8352 179.0270 30 L 3.9894 7.7188 116.9685 57.8103 41.8703 178.9206 31 Y 3.9492 7.8444 116.7627 61.1335 37.6460 178.7040 32 R 4.0344 8.5407 119.3430 59.4720 30.0223 178.8076 33 M 4.2964 8.5761 118.8073 58.4105 32.1936 178.3776 34 S 4.2070 8.0768 114.8200 61.1220 62.9949 175.9038 35 T 4.1805 7.4905 111.5536 63.3350 68.8651 174.9392 36 Y 4.2529 8.2232 120.2778 58.3640 37.8391 176.9633 37 S 4.4619 7.9292 115.8101 60.9055 63.0048 175.2780 38 T 4.4653 7.8667 108.3964 60.9322 69.4280 174.4891 39 F 3.6877 8.3669 126.0398 57.7170 39.7798 173.0347 40 P 4.2416 0.0000 0.0000 62.3792 31.8656 176.1056 41 A 4.0668 8.2858 123.3593 53.2477 18.9915 178.6645 42 G 3.9898 8.7667 107.3038 45.3226 0.0000 174.5243 43 V 3.6473 7.2722 121.2743 61.5058 31.4423 174.5354 44 P 4.7132 0.0000 0.0000 62.6682 31.5839 175.6183 45 V 4.3921 7.1706 117.2526 60.9094 34.5740 175.5669 46 S 4.1413 8.1713 118.9655 57.7366 63.8309 174.4534 47 E 2.8195 8.4787 129.1062 59.3713 29.2349 179.2787 48 R 3.7189 7.7604 118.0448 59.7532 30.0965 178.4463 49 S 4.0892 7.7586 113.1228 61.1244 63.0983 176.1232 50 L 3.8358 7.6445 122.4128 57.6771 41.3919 179.2236 51 A 4.8376 7.7369 121.9262 54.8130 18.0790 179.6276 52 R 4.3760 8.2053 117.4767 58.9260 30.2936 177.9492 53 A 4.4973 7.7579 117.5280 52.7860 18.7489 177.8963 54 G 3.7873 8.3702 106.8331 44.6953 0.0000 172.7244 55 F 5.3777 8.3139 118.5464 55.5292 41.8683 174.4501 56 Y 5.2496 8.8174 120.7996 55.1199 41.4262 173.9804 57 Y 4.8171 8.3391 122.0717 57.5788 38.9645 175.5584 58 T 4.0540 8.4701 115.5202 62.2361 69.6179 176.0768 59 G 3.3196 5.7554 111.5760 45.2664 0.0000 173.6322 60 V 4.3832 6.9640 117.2380 59.6070 34.9311 180.2923 61 N 4.3292 8.5279 124.2896 53.9877 37.6495 174.8078 62 D 4.9561 8.7970 123.8821 53.7190 39.8657 175.2727 63 K 4.6524 8.7295 122.7491 57.3263 33.3178 176.2012 64 V 5.1847 8.9938 119.6473 59.5637 36.3490 174.3291 65 K 5.0530 9.0399 122.4220 54.9355 35.9322 174.6162 66 C 4.7338 8.9503 128.5408 58.7022 31.8487 174.3997 67 F 4.4684 9.0833 122.4131 59.6437 37.7179 176.2042 68 C 3.5388 7.0310 120.8497 61.1102 31.5790 173.8126 69 C 4.0760 7.6129 111.3246 57.6415 30.2211 174.5667 70 G 3.7904 7.8685 108.5040 44.9228 0.0000 172.9718 71 L 4.1203 7.5522 122.7436 55.2661 43.1726 175.3081 72 M 5.1197 8.7156 126.0654 53.7186 33.8997 175.2902 73 L 4.7463 8.4491 123.2412 53.1049 45.5078 176.0212 74 D 4.5813 7.7270 120.0078 53.8419 42.5097 173.4423 75 N 4.0769 8.9421 112.1486 54.9099 36.9284 174.8160 76 W 4.2758 8.9630 120.5384 57.0272 30.3045 177.4258 77 K 4.6819 8.2942 126.0745 52.7334 34.7088 174.8300 78 R 4.1280 8.3199 114.8354 58.5825 29.6983 176.6330 79 G 4.1016 8.8269 105.7189 46.0731 0.0000 173.9829 80 D 4.4239 7.7991 119.3405 54.8560 41.5441 176.5373 81 S 4.7265 8.6081 117.0129 55.8014 64.4362 172.7714 82 P 4.8002 0.0000 0.0000 66.1955 31.3166 178.3876 83 T 4.1010 8.3249 116.4275 67.8601 68.4295 176.3769 84 E 4.0315 8.2259 119.3191 61.2043 29.5604 180.8854 85 K 4.1006 8.7567 120.9133 60.2867 32.4365 177.8109 86 H 4.6217 9.1769 121.2744 59.2872 29.6086 177.5634 87 K 3.9355 8.3303 124.7962 60.3141 31.4703 180.9547 88 K 4.0197 7.9974 118.1918 58.9382 32.0800 178.4355 89 L 4.6708 7.8088 116.6268 54.6480 43.7419 176.3211 90 Y 4.6413 7.0671 113.9082 56.8859 40.9216 171.4301 91 P 4.5880 0.0000 0.0000 63.3361 32.5191 178.6424 92 S 4.4080 7.9776 112.7492 59.4267 63.5247 174.1377 93 C 4.3590 8.1037 124.6070 59.9725 31.8401 174.2650 94 R 3.9671 8.8063 130.5446 61.7589 29.1547 174.6623 95 F 4.5403 8.0355 120.3092 61.3582 39.4152 177.5933 96 V 3.3926 7.7798 116.7355 64.6251 30.9918 177.1584 97 Q 3.9391 7.6120 119.5723 58.9185 28.7271 176.6883 98 S 4.2007 7.5582 117.8847 58.2192 62.3994 173.2964 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 25 M 8.30 4.54 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 26 L 7.61 4.39 0.00 1.63 1.61 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.39 4.27 0.00 4.10 3.99 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 0.00 0.00 0.00 28 C 8.81 3.91 0.00 2.82 2.70 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 29 E 8.26 3.83 0.00 2.04 1.98 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 2.38 2.45 0.00 30 L 7.72 3.99 0.00 1.68 1.55 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.84 3.95 0.00 3.22 2.94 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 32 R 8.54 4.03 0.00 1.95 2.13 0.00 2.96 0.00 0.00 2.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 33 M 8.58 4.30 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 34 S 8.08 4.21 0.00 4.10 4.04 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 35 T 7.49 4.18 4.20 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 0.00 0.00 0.00 1.11 0.00 0.00 36 Y 8.22 4.25 0.00 3.00 2.82 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 37 S 7.93 4.46 0.00 4.02 4.06 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 0.00 0.00 0.00 0.00 38 T 7.87 4.47 4.50 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 1.31 0.00 0.00 39 F 8.37 3.69 0.00 2.88 2.99 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 0.00 0.00 0.00 40 P 0.00 4.24 0.00 2.03 1.92 0.00 2.37 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.76 0.00 41 A 8.29 4.07 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 42 G 8.77 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.27 3.65 1.85 0.00 0.00 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 1.05 0.00 0.00 44 P 0.00 4.71 0.00 2.23 2.20 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 45 V 7.17 4.39 1.80 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 0.47 0.00 0.00 1.00 0.00 0.00 46 S 8.17 4.14 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.48 2.82 0.00 1.77 1.37 0.00 0.00 0.00 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 1.80 0.00 48 R 7.76 3.72 0.00 1.75 1.83 0.00 3.12 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 S 7.76 4.09 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.84 0.00 1.10 1.56 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.74 4.84 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 R 8.21 4.38 0.00 1.94 2.17 0.00 3.11 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 53 A 7.76 4.50 1.68 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 0.00 0.00 54 G 8.37 3.79 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 0.00 0.00 0.00 55 F 8.31 5.38 0.00 3.32 3.06 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 0.00 0.00 0.00 0.00 56 Y 8.82 5.25 0.00 2.79 3.07 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 57 Y 8.34 4.82 0.00 1.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.05 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 59 G 5.76 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.96 4.38 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 0.78 0.00 0.00 0.93 0.00 0.00 61 N 8.53 4.33 0.00 2.90 2.14 0.00 0.00 6.98 8.06 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 62 D 8.80 4.96 0.00 2.82 2.50 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 63 K 8.73 4.65 0.00 1.95 1.92 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 64 V 8.99 5.18 2.43 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 1.15 0.00 0.00 0.88 0.00 0.00 65 K 9.04 5.05 0.00 1.58 0.96 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.29 7.81 66 C 8.95 4.73 0.00 2.38 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 9.08 4.47 0.00 3.41 3.40 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 68 C 7.03 3.54 0.00 1.65 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 69 C 7.61 4.08 0.00 1.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.87 3.79 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 0.00 0.00 0.00 71 L 7.55 4.12 0.00 1.71 1.59 1.05 1.21 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 M 8.72 5.12 0.00 1.92 1.98 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 2.51 2.55 0.00 73 L 8.45 4.75 0.00 1.25 0.70 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.73 4.58 0.00 2.95 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.94 4.08 0.00 2.74 2.71 0.00 0.00 6.89 7.95 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 76 W 8.96 4.28 0.00 3.28 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 77 K 8.29 4.68 0.00 1.72 1.57 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.21 7.81 78 R 8.32 4.13 0.00 1.73 1.84 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 79 G 8.83 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 0.00 0.00 0.00 80 D 7.80 4.42 0.00 3.10 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 81 S 8.61 4.73 0.00 3.91 3.80 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 0.00 0.00 0.00 0.00 82 P 0.00 4.80 0.00 2.33 2.03 0.00 3.71 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.70 0.00 83 T 8.32 4.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 84 E 8.23 4.03 0.00 1.98 1.93 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 2.25 2.20 0.00 85 K 8.76 4.10 0.00 1.98 2.11 0.00 1.73 0.00 0.00 1.16 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 86 H 9.18 4.62 0.00 3.85 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.33 3.94 0.00 1.84 1.84 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.40 7.81 88 K 8.00 4.02 0.00 1.79 1.97 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 89 L 7.81 4.67 0.00 1.89 1.85 0.97 0.65 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 90 Y 7.07 4.64 0.00 3.06 2.82 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 91 P 0.00 4.59 0.00 2.35 2.37 0.00 3.42 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 92 S 7.98 4.41 0.00 4.08 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 93 C 8.10 4.36 0.00 3.07 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 94 R 8.81 3.97 0.00 1.95 1.86 0.00 3.32 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 95 F 8.04 4.54 0.00 2.91 2.97 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 96 V 7.78 3.39 1.80 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 0.95 0.00 0.00 0.84 0.00 0.00 97 Q 7.61 3.94 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 98 S 7.56 4.20 0.00 3.75 3.40 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