NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2033 8.1701 117.3740 63.1456 69.8019 173.4142 3 A 4.1270 8.4063 128.1919 51.5677 19.2914 174.8695 4 L 4.7256 8.4478 120.4281 52.8737 45.1359 175.0827 5 A 4.2634 8.2803 125.1107 50.7735 19.5878 177.1188 6 K 3.8531 8.5468 122.9753 56.1415 32.1504 175.0732 7 P 4.6057 0.0000 0.0000 61.2161 32.8892 175.1783 8 Q 4.1149 8.3869 119.8105 56.4068 29.1670 175.1940 9 M 4.6747 8.6383 122.8141 54.8093 34.2826 175.6518 10 R 4.6020 7.8301 117.1261 55.1297 32.8825 175.4043 11 G 4.0400 8.6042 107.2366 46.7253 0.0000 176.0977 12 L 3.9759 7.9284 121.2295 57.1120 41.7572 178.6231 13 L 3.9255 7.8536 119.7669 58.1239 42.1759 178.6790 14 A 4.0258 7.9404 120.3058 55.0846 18.4179 179.3541 15 R 3.8396 8.2413 117.4105 59.5450 30.1453 178.7662 16 R 3.9808 7.9800 118.3518 59.2618 30.0237 178.2093 17 L 3.9747 8.0574 120.0805 58.3059 42.2518 178.9804 18 R 3.9311 8.1841 118.0721 59.3446 30.0517 178.7782 19 F 4.1374 8.2243 120.0668 61.8228 39.4322 176.9135 20 H 4.1817 8.4218 115.5538 58.4241 28.5045 177.9422 21 I 3.7608 8.1392 122.4455 64.2196 36.9208 178.5316 22 V 3.6728 7.7434 119.0911 65.9313 31.3709 178.3717 23 G 3.4170 7.8462 105.2709 47.6121 0.0000 175.5508 24 A 4.0262 8.0935 123.1704 54.8354 18.3500 179.5513 25 F 4.0651 8.3423 119.2751 61.6453 39.5074 177.2892 26 M 3.9925 8.1596 118.3841 58.5310 31.8193 179.0148 27 V 3.6461 7.8964 118.2052 65.8830 31.5242 178.3271 28 S 4.1639 7.8474 115.1922 61.3507 62.5982 176.5461 29 L 3.9288 7.6884 121.8522 57.8034 41.3870 179.9060 30 G 3.6121 8.1038 105.6098 47.6101 0.0000 175.5788 31 F 4.2614 8.3969 122.7857 60.8502 39.3636 177.1903 32 A 3.9112 8.4190 120.8239 55.6506 18.0187 179.7431 33 T 3.8362 7.8299 112.8275 66.6026 68.6834 176.4958 34 F 4.3161 8.1200 122.5513 61.4290 39.5197 176.5928 35 Y 3.6145 8.1999 119.5442 60.2903 38.4682 178.4698 36 K 4.4668 8.2480 118.6224 55.8236 32.8344 177.2768 37 F 4.8118 7.5223 119.9457 59.6932 45.9826 175.4327 38 A 3.4830 7.6714 120.8809 53.0905 18.7225 177.2261 39 V 3.8073 7.2585 113.5746 63.5578 33.2757 177.1781 40 A 3.9038 7.3565 120.7635 55.2527 18.2161 179.1699 41 E 3.8424 7.8922 115.5810 59.1932 29.6707 179.2829 42 K 3.6438 7.2537 119.1711 59.5817 32.2273 178.7317 43 R 3.9341 7.8612 118.6676 59.4195 30.0372 178.5880 44 K 4.0078 7.9963 118.3566 59.3966 32.0477 179.3100 45 K 3.9807 8.4778 120.0526 59.2746 32.1275 178.7346 46 A 3.9768 8.2080 121.2151 55.4921 18.3202 179.3046 47 Y 3.8506 8.2328 114.8180 60.9993 37.8693 178.2708 48 A 4.1961 8.4090 121.8666 55.2587 18.2585 179.4946 49 D 4.3193 8.4954 116.9930 57.4022 40.9887 178.4310 50 F 3.9951 8.0188 120.0277 61.3179 39.4772 176.2101 51 Y 4.5604 8.2162 114.5171 58.8072 37.7367 177.4464 52 R 4.1018 7.6770 120.1024 58.8943 30.3453 177.8220 53 N 5.0524 7.8159 113.6183 52.8103 39.6608 173.9458 54 Y 4.0678 7.5944 119.3776 57.3803 39.5958 175.0269 55 D 4.5161 7.6578 125.8396 52.0039 42.7894 176.4433 56 S 3.8229 7.9209 123.4570 61.5268 63.0527 176.2164 57 M 4.1333 7.9166 121.8156 57.9542 31.8590 178.4116 58 K 3.9460 8.3019 119.8861 59.4070 32.3501 178.3257 59 D 4.3601 8.1154 118.3466 57.3776 41.1517 178.0363 60 F 4.3376 8.5077 121.2274 61.2712 39.3549 176.5444 61 E 3.6746 8.7023 119.3818 59.2880 29.4988 178.6223 62 E 3.9033 8.1843 118.4082 59.8314 29.4325 179.3579 63 M 3.9273 7.9698 118.6144 58.1420 31.8691 178.8831 64 R 3.8716 8.0041 119.2911 59.4338 30.0648 178.8203 65 K 3.9455 8.0956 117.0217 59.0192 32.0738 178.4783 66 A 4.2309 7.6094 119.0421 52.0843 18.5842 177.7662 67 G 3.7995 8.0275 105.7829 46.2664 0.0000 175.2771 68 I 3.7543 7.1046 115.0722 62.4179 38.0128 176.4370 69 F 4.8446 7.4625 119.2335 57.1230 39.7027 175.0259 70 Q 4.3360 8.9334 124.3244 57.3484 29.5306 176.4403 71 S 4.5478 8.1709 109.3550 57.9166 64.0070 173.6096 72 A 4.5827 7.9300 123.4875 50.7945 20.8890 175.9634 73 K 4.2612 8.7888 121.0308 57.0701 32.4117 176.7173 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 T 8.17 4.20 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 1.21 0.00 0.00 3 A 8.41 4.13 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 4 L 8.45 4.73 0.00 1.61 1.55 0.92 0.76 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 5 A 8.28 4.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 3.85 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.61 0.00 2.20 2.05 0.00 3.81 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 1.95 1.93 0.00 8 Q 8.39 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.67 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 10 R 7.83 4.60 0.00 1.76 1.81 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.60 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 0.00 0.00 0.00 12 L 7.93 3.98 0.00 1.70 1.72 0.91 0.52 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 13 L 7.85 3.93 0.00 1.76 1.66 0.93 1.03 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 14 A 7.94 4.03 1.33 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 0.00 0.00 0.00 15 R 8.24 3.84 0.00 2.02 2.13 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 R 7.98 3.98 0.00 2.07 2.15 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 17 L 8.06 3.97 0.00 1.84 1.85 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.18 3.93 0.00 2.10 2.03 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.22 4.14 0.00 3.06 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 20 H 8.42 4.18 0.00 3.44 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.14 3.76 1.92 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 1.65 0.93 0.91 0.00 0.00 22 V 7.74 3.67 2.19 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 0.94 0.00 0.00 0.89 0.00 0.00 23 G 7.85 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.03 1.40 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 0.00 0.00 25 F 8.34 4.07 0.00 3.17 3.25 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 26 M 8.16 3.99 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.03 0.00 27 V 7.90 3.65 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 1.00 0.00 0.00 0.96 0.00 0.00 28 S 7.85 4.16 0.00 3.89 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 29 L 7.69 3.93 0.00 1.75 1.59 0.35 0.80 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 30 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.40 4.26 0.00 3.17 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 32 A 8.42 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.84 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 1.19 0.00 0.00 34 F 8.12 4.32 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 Y 8.20 3.61 0.00 2.52 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 36 K 8.25 4.47 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.63 7.81 37 F 7.52 4.81 0.00 2.89 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 38 A 7.67 3.48 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.81 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 0.00 0.00 0.62 0.00 0.00 0.30 0.00 0.00 40 A 7.36 3.90 1.32 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 41 E 7.89 3.84 0.00 1.88 1.94 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 2.53 2.35 0.00 42 K 7.25 3.64 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.22 7.81 43 R 7.86 3.93 0.00 2.05 2.03 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 44 K 8.00 4.01 0.00 2.00 1.86 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 45 K 8.48 3.98 0.00 1.88 1.89 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.46 7.81 46 A 8.21 3.98 1.33 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 0.00 0.00 0.00 47 Y 8.23 3.85 0.00 3.16 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 48 A 8.41 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.50 4.32 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.00 0.00 2.85 2.79 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 51 Y 8.22 4.56 0.00 3.39 3.05 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 52 R 7.68 4.10 0.00 2.02 2.00 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 53 N 7.82 5.05 0.00 2.68 2.74 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.59 4.07 0.00 2.87 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 55 D 7.66 4.52 0.00 2.55 2.30 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 56 S 7.92 3.82 0.00 4.13 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 0.00 57 M 7.92 4.13 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.30 3.95 0.00 1.92 1.85 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.12 4.36 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.51 4.34 0.00 3.19 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 61 E 8.70 3.67 0.00 2.30 1.91 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 2.33 2.38 0.00 62 E 8.18 3.90 0.00 2.23 1.95 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 2.31 2.55 0.00 63 M 7.97 3.93 0.00 1.69 2.27 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.50 0.00 64 R 8.00 3.87 0.00 1.17 1.74 0.00 3.35 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 1.61 1.88 0.00 65 K 8.10 3.95 0.00 1.80 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 A 7.61 4.23 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 67 G 8.03 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 0.00 0.00 0.00 68 I 7.10 3.75 1.55 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 0.93 -0.36 0.73 0.00 0.00 69 F 7.46 4.84 0.00 3.42 3.05 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 70 Q 8.93 4.34 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 S 8.17 4.55 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 72 A 7.93 4.58 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.79 4.26 0.00 1.78 1.74 0.00 1.96 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81