NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9298 8.3549 109.7358 45.2106 0.0000 175.4885 3 K 3.8788 8.9345 116.3352 55.1487 33.7504 171.0787 4 V 4.4395 8.6163 122.1720 61.3481 35.5086 173.5683 5 Y 5.0236 8.7451 124.0314 56.1378 40.9713 174.6942 6 K 4.5456 8.1030 122.0902 54.4885 35.5279 174.7320 7 K 5.1149 8.5153 124.4592 54.6973 34.5225 175.8465 8 V 4.5199 8.7381 117.7565 59.4848 35.2097 174.3460 9 E 4.9802 8.7589 124.8122 54.9642 30.5113 174.8745 10 L 4.8776 8.9023 126.9815 52.8490 45.8380 176.0342 11 V 4.6936 8.2318 119.9576 61.1848 33.6226 175.1976 12 G 4.3652 9.0824 116.2070 45.3232 0.0000 171.7985 13 T 5.4019 8.0323 111.3284 60.1382 72.2190 172.8606 14 S 4.6576 8.6976 114.9656 58.0251 65.9921 175.7416 15 E 4.5572 8.9659 123.2083 57.1633 30.0868 177.9567 16 E 4.1705 8.5074 118.8754 57.3993 30.1964 176.5012 17 G 3.3706 7.1116 104.2165 44.2153 0.0000 173.5713 18 L 3.7497 7.3920 118.1271 57.8272 41.5412 179.0804 19 E 3.8824 8.1660 117.8174 59.8034 29.4177 179.4891 20 A 3.9396 7.9039 119.5026 54.7485 18.4083 179.4863 21 A 3.8724 7.6976 119.0397 55.3594 18.5462 179.7200 22 I 3.4789 7.6888 118.2971 64.8272 37.1515 178.7083 23 Q 3.8939 8.1586 118.4598 58.8020 28.5212 178.8443 24 A 3.9384 7.9650 121.6340 55.0235 18.4291 179.5587 25 A 3.8967 7.8012 118.7859 55.3560 18.5398 179.7639 26 L 3.8913 7.9372 117.2541 57.6294 41.4050 179.5706 27 A 3.9711 8.1168 120.7043 54.9316 18.6420 179.3752 28 R 3.9334 7.8727 116.6598 59.3106 30.1399 178.3232 29 A 3.8827 7.9536 120.6445 55.3386 18.1269 179.6101 30 R 3.7711 7.7215 115.6549 58.9330 30.1108 178.3096 31 K 4.0989 7.6627 119.2580 58.8364 32.2749 177.2691 32 T 4.5033 7.6819 105.4108 60.5280 70.5627 173.4496 33 L 4.5170 7.8071 121.9348 52.7344 43.7613 175.8650 34 R 4.5312 7.9418 120.4219 55.7574 33.1406 174.9253 35 H 4.2334 8.6140 114.2405 56.7726 25.8867 175.0404 36 L 4.5968 8.1857 118.9539 55.6679 42.0750 175.9139 37 D 5.2084 9.3064 122.8018 55.3247 43.1618 176.1779 38 W 5.5271 7.8282 113.2266 55.3067 31.8878 173.0833 39 F 5.3582 8.3965 114.0626 55.3267 40.8134 173.5881 40 E 4.7663 9.2058 119.2247 54.6270 33.1221 175.0707 41 V 4.3244 8.6367 124.3166 62.7335 31.9937 175.1589 42 K 4.5246 9.4325 127.3587 57.7947 33.6841 176.5999 43 E 4.8670 7.9880 116.9507 54.6476 34.4492 174.4401 44 I 5.0255 8.4097 121.6494 59.8129 40.2185 174.6655 45 A 4.6723 9.0147 128.2086 51.4985 23.2167 174.1235 46 G 4.1956 8.1226 103.7370 46.6447 0.0000 172.9950 47 T 4.7546 7.9654 110.2630 60.0388 71.6573 173.5922 48 I 4.7939 8.2404 122.6676 59.8040 39.8883 175.6107 49 G 4.2717 9.0174 115.9912 44.5088 0.0000 173.0869 50 E 3.8836 8.9898 117.6988 58.7579 29.6992 177.5100 51 A 4.6137 7.9339 119.1663 51.8158 20.4618 176.2213 52 G 3.9710 7.5574 104.9630 44.3606 0.0000 176.4441 53 V 3.6784 8.2616 125.8368 63.2928 31.6530 175.2581 54 K 4.1370 8.7494 129.2683 58.7170 33.3959 176.1398 55 E 4.7020 7.5691 120.7025 54.6562 33.1057 173.6312 56 Y 4.6187 9.1893 125.7303 57.8582 39.7367 174.6770 57 Q 5.0266 9.4628 122.4862 54.2540 32.5695 174.4168 58 V 4.7349 8.8695 125.4404 61.0088 34.0349 174.5209 59 V 4.6694 8.6741 129.3914 62.1175 32.6635 174.7416 60 L 5.3276 9.0961 127.7085 54.1640 44.5104 174.9309 61 E 4.8652 9.1259 120.7736 55.3218 31.4493 175.1046 62 V 4.4451 9.0284 125.2930 61.1189 33.7616 174.4671 63 G 3.2709 8.0533 115.7359 44.1006 0.0000 172.3622 64 F 5.6826 8.4535 117.7842 54.9551 41.9477 173.5385 65 R 4.1770 8.7894 121.3720 56.1337 30.6228 175.9138 66 L 4.3715 8.3593 127.3563 54.2155 42.1920 177.1971 67 E 4.1825 8.8318 123.1812 55.9515 30.3514 176.8045 68 E 4.1350 8.5359 118.9533 56.8911 29.5241 177.1697 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 G 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.93 3.88 0.00 1.77 1.37 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.62 4.44 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 1.08 0.00 0.00 0.89 0.00 0.00 5 Y 8.75 5.02 0.00 3.04 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 6 K 8.10 4.55 0.00 1.50 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.27 7.81 7 K 8.52 5.11 0.00 1.64 1.65 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 1.42 7.81 8 V 8.74 4.52 2.13 0.00 0.00 0.00 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 1.02 0.00 0.00 9 E 8.76 4.98 0.00 1.98 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 2.22 2.33 0.00 10 L 8.90 4.88 0.00 1.56 1.48 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.23 4.69 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 9.08 4.37 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 0.00 13 T 8.03 5.40 4.38 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 1.22 0.00 0.00 14 S 8.70 4.66 0.00 3.90 3.77 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 15 E 8.97 4.56 0.00 2.03 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 2.47 2.30 0.00 16 E 8.51 4.17 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 17 G 7.11 3.37 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 0.00 18 L 7.39 3.75 0.00 1.55 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.17 3.88 0.00 1.98 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 2.39 2.45 0.00 20 A 7.90 3.94 1.31 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 0.00 0.00 0.00 21 A 7.70 3.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.48 1.86 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 1.42 0.93 0.33 0.00 0.00 23 Q 8.16 3.89 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 24 A 7.96 3.94 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 25 A 7.80 3.90 1.26 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 0.00 0.00 26 L 7.94 3.89 0.00 1.71 1.63 0.56 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.12 3.97 1.31 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 0.00 0.00 0.00 28 R 7.87 3.93 0.00 1.91 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.95 3.88 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 30 R 7.72 3.77 0.00 1.79 2.19 0.00 3.25 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 31 K 7.66 4.10 0.00 1.98 1.77 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 T 7.68 4.50 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 1.17 0.00 0.00 33 L 7.81 4.52 0.00 1.43 0.95 0.35 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.94 4.53 0.00 1.66 1.52 0.00 3.24 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.61 4.23 0.00 3.67 3.53 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.19 4.60 0.00 1.67 1.66 0.85 0.89 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 37 D 9.31 5.21 0.00 2.98 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 W 7.83 5.53 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 39 F 8.40 5.36 0.00 3.00 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 40 E 9.21 4.77 0.00 1.99 1.92 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 2.36 2.50 0.00 41 V 8.64 4.32 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 0.84 0.00 0.00 1.12 0.00 0.00 42 K 9.43 4.52 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 43 E 7.99 4.87 0.00 1.88 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 2.31 2.35 0.00 44 I 8.41 5.03 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 1.00 0.00 0.00 45 A 9.01 4.67 1.20 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 0.00 0.00 0.00 46 G 8.12 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 0.00 0.00 0.00 0.00 47 T 7.97 4.75 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 1.18 0.00 0.00 48 I 8.24 4.79 1.84 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 1.22 0.63 0.93 0.00 0.00 49 G 9.02 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 0.00 0.00 0.00 0.00 50 E 8.99 3.88 0.00 1.96 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 2.30 2.24 0.00 51 A 7.93 4.61 1.24 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 52 G 7.56 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 0.00 0.00 0.00 53 V 8.26 3.68 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 -0.34 0.00 0.00 0.67 0.00 0.00 54 K 8.75 4.14 0.00 1.85 1.70 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.57 4.70 0.00 1.88 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 2.21 2.27 0.00 56 Y 9.19 4.62 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.46 5.03 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.87 4.73 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.67 4.67 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 0.93 0.00 0.00 0.95 0.00 0.00 60 L 9.10 5.33 0.00 1.96 1.76 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.13 4.87 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 62 V 9.03 4.45 2.06 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 0.91 0.00 0.00 0.89 0.00 0.00 63 G 8.05 3.27 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 0.00 64 F 8.45 5.68 0.00 3.36 3.01 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 65 R 8.79 4.18 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 66 L 8.36 4.37 0.00 1.57 1.54 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.83 4.18 0.00 2.00 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 2.39 2.47 0.00 68 E 8.54 4.13 0.00 1.95 1.86 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 2.29 2.23 0.00