NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6047 8.0632 120.4268 54.9640 34.0444 174.2945 2 K 4.0100 8.2944 126.6472 55.8242 33.2273 171.0726 3 V 4.6168 9.6816 127.8440 61.0513 34.0884 174.0410 4 L 4.7508 8.9856 128.7703 53.0964 44.3108 175.1097 5 Y 5.0734 8.0260 119.5976 56.3162 41.2885 174.9211 6 F 4.8639 8.1230 117.0662 55.9678 44.3687 175.1806 7 A 3.8062 8.6608 123.5361 53.4109 16.7093 179.3475 8 E 4.4851 8.5560 112.0676 59.3611 29.9026 179.3036 9 I 3.6259 7.6843 121.2360 64.0612 37.2051 177.8583 10 K 4.1071 7.7251 121.9265 58.8022 31.8093 178.5893 11 D 4.2976 7.7986 118.7169 57.5326 40.6000 178.8948 12 I 3.6636 7.6391 118.9568 64.4081 35.8954 178.3225 13 L 3.7659 7.6267 118.6298 55.0239 41.0996 177.8812 14 Q 3.7747 7.9003 116.5107 55.9912 26.5405 173.2733 15 K 4.5521 7.2380 114.0327 55.5974 35.7869 176.0089 16 A 4.2807 8.5346 122.6486 54.2393 19.4958 177.1295 17 Q 4.9566 7.7761 113.0599 54.9026 31.0508 174.5378 18 E 4.8018 8.8439 117.7480 55.5364 33.4916 173.5998 19 D 5.3682 8.7503 121.5408 52.8885 42.8248 175.5907 20 I 4.4041 8.1784 125.0971 59.2167 39.2814 176.1844 21 V 3.7580 8.4940 127.7028 62.1003 30.7426 175.2774 22 L 4.2587 8.2893 128.1790 54.4051 42.1653 177.6114 23 E 4.1236 8.9129 123.8021 59.3052 29.6667 176.5667 24 Q 4.5215 7.5287 113.0756 54.4909 31.2325 173.2830 25 A 4.5739 8.3861 120.1733 51.9137 18.9590 176.7635 26 L 5.1346 8.5989 120.0076 52.8752 46.5709 176.1097 27 T 4.1612 7.8552 110.8595 60.7967 70.4915 175.9177 28 V 3.6022 8.1499 120.0735 65.9438 31.2402 177.7388 29 Q 3.9465 8.0049 119.3825 59.3317 28.9788 177.9690 30 Q 3.9764 7.9374 118.8666 59.0339 28.6096 179.0566 31 F 4.0369 7.9644 121.6371 61.1558 39.5319 176.8687 32 E 3.7021 8.5176 118.5237 59.6171 29.3169 178.8220 33 D 4.4655 8.2038 118.7299 57.8945 41.1624 179.4617 34 L 3.9905 7.8830 118.6255 57.1392 41.4121 179.4135 35 L 3.6721 7.5253 121.1386 58.1032 41.7494 179.0376 36 F 4.7227 7.3668 116.4190 60.3764 38.8934 177.2599 37 E 4.1231 7.8458 117.4050 59.5300 29.3576 179.0773 38 R 3.9701 7.5495 116.9479 57.8181 31.2234 176.0219 39 Y 4.9730 7.9811 116.8917 54.8719 38.5330 173.8786 40 P 4.4299 0.0000 0.0000 65.3539 31.9771 178.6518 41 Q 4.1980 8.2217 114.5851 57.8018 28.6623 176.5421 42 I 4.3791 7.5137 111.5582 60.6220 38.5417 176.7870 43 N 3.7902 8.0818 118.7380 54.6343 37.0137 175.1806 44 N 4.5002 7.8703 116.3674 54.5726 39.7461 175.1146 45 K 4.3792 8.2193 117.3925 55.9694 32.9396 176.1469 46 K 4.5718 8.4137 120.9726 55.0395 33.4685 176.1477 47 F 5.1268 7.7614 116.3155 56.0464 40.3978 173.9841 48 Q 4.4429 9.3315 121.4017 55.7762 30.1531 174.7939 49 V 5.0959 8.4975 119.4218 61.2450 34.9408 173.9514 50 A 5.0585 8.9194 127.8606 50.1344 22.4018 174.7798 51 V 4.4555 8.4284 122.5695 61.4871 33.8576 175.6814 52 N 4.4701 9.6762 126.7114 54.5489 36.6260 173.7913 53 E 3.7114 8.2631 109.5426 57.4619 27.1095 174.6986 54 E 4.5802 7.7160 115.9325 54.2365 33.5226 175.4912 55 F 4.8298 8.3296 120.8891 58.0219 39.7628 174.8574 56 V 4.6557 8.0158 113.6583 59.9444 36.1026 174.9483 57 Q 4.3632 9.0175 121.6940 55.0085 30.1854 177.7152 58 K 3.8814 8.7354 119.2217 59.1743 32.1582 179.1589 59 S 4.4638 7.7741 110.8256 58.6149 64.2703 174.1056 60 D 4.6002 7.4845 121.9863 54.6495 41.7005 175.4494 61 F 4.8638 8.7913 120.3389 56.6290 40.6896 175.0830 62 I 4.5232 9.4067 124.2265 59.8433 39.6258 175.2402 63 Q 4.5862 9.4293 125.6145 53.8839 30.7996 175.2568 64 P 4.2751 0.0000 0.0000 65.3234 31.5517 177.8704 65 N 4.9118 7.9494 112.7272 53.0033 39.1795 174.4378 66 D 4.7448 7.7607 118.8727 54.4944 42.5773 175.3419 67 T 4.6785 9.1753 117.9100 62.4413 70.6460 174.2175 68 V 4.8031 9.0249 125.0896 60.9878 35.1083 173.8847 69 A 5.1829 9.0153 129.1303 50.0903 22.1424 174.9222 70 L 4.8849 8.8294 122.4351 54.1298 43.0673 176.3235 71 I 4.7061 8.8993 127.4263 58.7890 38.1943 174.0591 72 P 5.0947 0.0000 0.0000 61.4317 32.5274 174.3582 73 P 4.1243 0.0000 0.0000 62.8902 31.4812 176.8354 74 V 3.8423 8.2933 123.0114 63.6922 32.1857 176.2877 75 S 4.6086 8.0839 118.7375 56.6951 62.6319 174.4039 76 G 3.7415 7.9382 110.5568 46.7067 0.0000 174.1510 77 G 4.1407 8.6100 107.7439 46.0289 0.0000 173.6328 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 8.06 4.60 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 2 K 8.29 4.01 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 V 9.68 4.62 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 0.73 0.00 0.00 1.09 0.00 0.00 4 L 8.99 4.75 0.00 1.49 1.11 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.03 5.07 0.00 2.74 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 6 F 8.12 4.86 0.00 3.20 2.91 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 0.00 0.00 0.00 7 A 8.66 3.81 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 0.00 0.00 0.00 0.00 0.00 8 E 8.56 4.49 0.00 2.21 2.24 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 2.40 2.28 0.00 9 I 7.68 3.63 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.67 0.00 0.00 10 K 7.73 4.11 0.00 1.82 2.01 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 11 D 7.80 4.30 0.00 2.92 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 12 I 7.64 3.66 1.74 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 1.48 0.53 0.83 0.00 0.00 13 L 7.63 3.77 0.00 1.24 1.02 -0.51 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.90 3.77 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 15 K 7.24 4.55 0.00 1.94 1.82 0.00 1.46 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.39 7.81 16 A 8.53 4.28 1.18 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 0.00 0.00 17 Q 7.78 4.96 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 18 E 8.84 4.80 0.00 2.11 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 2.42 2.42 0.00 19 D 8.75 5.37 0.00 2.57 2.64 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 0.00 0.00 0.00 0.00 20 I 8.18 4.40 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.96 0.00 0.00 21 V 8.49 3.76 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 0.81 0.00 0.00 0.94 0.00 0.00 22 L 8.29 4.26 0.00 1.72 1.83 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.91 4.12 0.00 1.98 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 2.33 2.32 0.00 24 Q 7.53 4.52 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 25 A 8.39 4.57 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 26 L 8.60 5.13 0.00 1.67 1.61 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.86 4.16 3.87 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 0.25 0.00 0.00 28 V 8.15 3.60 2.23 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 1.11 0.00 0.00 0.94 0.00 0.00 29 Q 8.00 3.95 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 30 Q 7.94 3.98 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 31 F 7.96 4.04 0.00 3.19 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 32 E 8.52 3.70 0.00 2.22 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 2.43 2.49 0.00 33 D 8.20 4.47 0.00 2.93 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 34 L 7.88 3.99 0.00 1.61 1.54 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.53 3.67 0.00 1.31 1.17 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.37 4.72 0.00 3.14 3.02 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 0.00 0.00 0.00 37 E 7.85 4.12 0.00 2.06 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 2.48 2.46 0.00 38 R 7.55 3.97 0.00 1.64 1.59 0.00 2.69 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 39 Y 7.98 4.97 0.00 3.14 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 40 P 0.00 4.43 0.00 2.21 2.13 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 41 Q 8.22 4.20 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 42 I 7.51 4.38 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.80 0.00 0.00 43 N 8.08 3.79 0.00 2.01 2.75 0.00 0.00 6.80 8.01 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 44 N 7.87 4.50 0.00 2.64 2.87 0.00 0.00 7.08 6.68 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 45 K 8.22 4.38 0.00 2.07 1.88 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.60 7.81 46 K 8.41 4.57 0.00 1.81 1.76 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.37 7.81 47 F 7.76 5.13 0.00 3.22 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 48 Q 9.33 4.44 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 49 V 8.50 5.10 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 1.01 0.00 0.00 1.25 0.00 0.00 50 A 8.92 5.06 1.10 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 51 V 8.43 4.46 2.05 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 0.96 0.00 0.00 0.85 0.00 0.00 52 N 9.68 4.47 0.00 2.78 2.80 0.00 0.00 7.13 7.34 0.00 0.00 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 E 8.26 3.71 0.00 2.06 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 2.13 2.26 0.00 54 E 7.72 4.58 0.00 2.02 1.75 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 2.32 2.37 0.00 55 F 8.33 4.83 0.00 2.98 2.90 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 56 V 8.02 4.66 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 0.72 0.00 0.00 1.02 0.00 0.00 57 Q 9.02 4.36 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 58 K 8.74 3.88 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.37 7.81 59 S 7.77 4.46 0.00 3.95 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 60 D 7.48 4.60 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.86 0.00 2.93 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 62 I 9.41 4.52 1.86 0.00 0.00 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 1.13 0.93 0.78 0.00 0.00 63 Q 9.43 4.59 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 64 P 0.00 4.28 0.00 2.18 2.12 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 65 N 7.95 4.91 0.00 2.69 2.80 0.00 0.00 6.95 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 66 D 7.76 4.74 0.00 2.69 2.61 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 67 T 9.18 4.68 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 1.17 0.00 0.00 68 V 9.02 4.80 1.82 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 0.57 0.00 0.00 0.64 0.00 0.00 69 A 9.02 5.18 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 70 L 8.83 4.88 0.00 1.70 1.46 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.90 4.71 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 1.13 0.00 0.00 72 P 0.00 5.09 0.00 2.17 2.21 0.00 3.95 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 73 P 0.00 4.12 0.00 2.10 2.12 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 74 V 8.29 3.84 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 0.86 0.00 0.00 1.01 0.00 0.00 75 S 8.08 4.61 0.00 3.98 3.86 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 76 G 7.94 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.61 4.14 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 0.00 0.00 0.00