NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8660 8.3544 109.7364 46.1343 0.0000 171.5602 2 S 4.2909 7.9099 112.3533 57.8567 64.6968 172.0677 3 S 4.6579 8.3981 117.7173 57.6145 67.6092 172.4508 4 G 4.0819 8.0931 108.9506 45.7909 0.0000 172.8742 5 S 4.4021 8.4970 113.6064 59.6094 64.1939 176.5130 6 S 3.6940 7.9917 112.3047 59.5865 60.6024 171.9139 7 G 4.2870 7.9827 105.0647 43.7113 0.0000 173.6373 8 Q 4.3979 8.1656 119.5739 52.5587 29.1050 171.6791 9 P 4.3883 0.0000 0.0000 62.6946 31.6303 176.9394 10 T 4.4812 7.9579 119.2331 61.4750 71.9309 173.6321 11 A 4.2613 8.2244 122.7371 51.9974 21.0805 175.4107 12 Q 4.6417 8.6076 120.7028 54.7816 33.0358 174.3981 13 Q 4.6482 8.2337 118.1158 54.4447 30.7245 174.7179 14 Q 4.5004 8.0735 117.9508 54.9095 31.0297 173.5404 15 L 4.0691 8.3838 119.0643 55.0475 42.0356 177.2138 16 T 4.0984 8.7966 121.6158 66.0584 68.5422 174.2829 17 K 4.6516 7.4831 116.9489 54.2969 35.4599 173.9659 18 P 4.4010 0.0000 0.0000 62.9395 32.1943 176.0538 19 A 4.2686 8.5838 122.4256 53.6308 19.5627 177.3838 20 K 4.6090 7.6850 111.9677 55.1282 35.0082 174.6580 21 I 4.7326 7.9234 118.3386 59.8536 40.1054 175.1986 22 T 5.2028 8.0669 114.1004 58.9972 72.4834 172.8241 23 C 4.1727 8.5482 122.4224 59.0699 32.7343 173.3765 24 A 3.9584 7.8033 128.0556 52.2930 17.5066 176.6466 25 N 4.9837 7.9985 115.2804 56.1673 40.7751 175.8897 26 C 4.3686 8.1019 110.4484 57.5734 31.0280 173.1277 27 K 4.4194 7.7948 117.6738 57.0333 28.9599 175.1968 28 K 4.6371 7.5325 117.3738 54.0521 35.0350 175.8313 29 P 4.3508 0.0000 0.0000 62.6191 30.7424 175.0426 30 L 4.1106 8.1240 125.7576 54.6787 41.9494 177.1392 31 Q 3.9388 8.8849 125.8677 55.6415 29.5281 175.7388 32 K 3.9526 8.5636 123.5317 59.1618 32.7441 174.9336 33 G 3.8413 9.5307 116.2820 46.0396 0.0000 173.9386 34 Q 4.0086 7.3422 118.9243 55.9626 29.3558 177.5708 35 T 3.9709 8.3107 117.2995 63.5085 69.2172 173.7401 36 A 5.0271 8.1127 125.7658 50.4036 22.2309 174.8297 37 Y 4.7059 8.6510 117.7636 56.4800 40.4220 174.8042 38 Q 5.1727 8.5127 123.4381 53.3372 32.2282 174.9102 39 R 4.5051 8.8463 124.7781 55.0310 31.6203 176.1609 40 K 3.9422 8.8078 121.6115 57.7927 33.1808 176.7981 41 G 4.0625 8.7392 112.4409 45.8644 0.0000 173.0264 42 S 4.6282 7.5153 110.2308 56.9890 66.3507 174.2212 43 A 4.7536 8.2672 123.5850 52.5072 19.1701 176.1882 44 H 4.8916 7.9866 116.8432 55.1797 32.5940 174.2193 45 L 5.1421 7.8833 121.7564 52.6995 45.0712 174.9608 46 F 5.1989 8.2020 117.1332 56.3412 43.2161 175.8907 47 C 4.3056 9.0647 115.6579 61.1808 30.2806 173.9865 48 S 4.6229 7.8773 113.5609 55.9840 66.7059 175.2268 49 T 3.3662 8.1267 113.7405 66.0060 67.4445 176.2539 50 T 3.6960 7.5422 115.7272 64.5263 67.5140 174.8844 51 C 4.0685 8.3297 118.7132 62.7084 28.3549 175.8060 52 L 2.0000 7.1446 119.8546 57.6231 41.7966 178.6196 53 S 4.1217 7.8870 112.7812 61.1406 62.2315 175.6553 54 S 4.0680 7.2015 113.6746 61.5159 62.0878 175.4059 55 F 4.6500 8.2955 123.4242 59.6143 39.1532 174.7116 56 S 3.9192 7.2870 114.9157 58.4867 62.0249 174.1602 57 S 4.1473 8.6079 122.9052 62.3501 63.7764 173.1668 58 G 3.7236 7.8403 106.1807 43.0496 0.0000 172.6371 59 P 4.5615 0.0000 0.0000 62.6562 28.8558 174.8969 60 S 4.4103 7.5503 118.6261 57.8491 62.8284 173.3161 61 S 3.7552 8.4431 124.0843 58.5947 62.2147 173.2755 62 G 3.7058 7.8684 113.4157 46.9682 0.0000 172.8957 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 G 8.35 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 0.00 0.00 0.00 0.00 2 S 7.91 4.29 0.00 3.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.66 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.50 4.40 0.00 3.86 3.89 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 0.00 0.00 0.00 6 S 7.99 3.69 0.00 3.96 3.89 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 0.00 0.00 0.00 7 G 7.98 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 0.00 0.00 0.00 0.00 8 Q 8.17 4.40 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 9 P 0.00 4.39 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 10 T 7.96 4.48 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 11 A 8.22 4.26 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 12 Q 8.61 4.64 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 13 Q 8.23 4.65 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 14 Q 8.07 4.50 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 15 L 8.38 4.07 0.00 1.65 1.66 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.80 4.10 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 17 K 7.48 4.65 0.00 1.79 1.71 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.36 7.81 18 P 0.00 4.40 0.00 2.34 2.08 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 19 A 8.58 4.27 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 20 K 7.69 4.61 0.00 1.83 1.81 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.40 7.81 21 I 7.92 4.73 1.84 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 1.37 1.18 0.86 0.00 0.00 22 T 8.07 5.20 4.21 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 1.23 0.00 0.00 23 C 8.55 4.17 0.00 3.06 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 24 A 7.80 3.96 0.34 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 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.00 4.98 0.00 2.99 2.85 0.00 0.00 6.85 7.71 0.00 0.00 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 C 8.10 4.37 0.00 3.14 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 27 K 7.79 4.42 0.00 1.94 1.94 0.00 1.77 0.00 0.00 2.51 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 28 K 7.53 4.64 0.00 1.71 1.71 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.43 7.81 29 P 0.00 4.35 0.00 2.07 2.10 0.00 3.77 0.00 0.00 3.65 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 30 L 8.12 4.11 0.00 1.58 1.69 0.91 0.88 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 31 Q 8.88 3.94 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 32 K 8.56 3.95 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 33 G 9.53 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.34 4.01 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 35 T 8.31 3.97 4.13 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 0.00 0.00 0.00 0.87 0.00 0.00 36 A 8.11 5.03 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.65 4.71 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 5.17 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 39 R 8.85 4.51 0.00 1.91 1.97 0.00 3.41 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 40 K 8.81 3.94 0.00 1.73 1.75 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.52 7.81 41 G 8.74 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 0.00 0.00 0.00 42 S 7.52 4.63 0.00 3.98 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 43 A 8.27 4.75 1.21 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 0.00 0.00 44 H 7.99 4.89 0.00 2.95 2.58 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.88 5.14 0.00 1.41 1.47 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.20 5.20 0.00 3.02 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 47 C 9.06 4.31 0.00 3.14 3.12 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 0.00 0.00 0.00 0.00 48 S 7.88 4.62 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 3.37 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 0.74 0.00 0.00 50 T 7.54 3.70 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 51 C 8.33 4.07 0.00 3.13 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 52 L 7.14 2.00 0.00 1.14 1.48 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.89 4.12 0.00 3.82 3.73 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 0.00 0.00 0.00 0.00 54 S 7.20 4.07 0.00 3.98 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 55 F 8.30 4.65 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 56 S 7.29 3.92 0.00 3.83 3.98 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 57 S 8.61 4.15 0.00 3.92 3.78 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 0.00 0.00 0.00 0.00 58 G 7.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.56 0.00 2.18 2.09 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 60 S 7.55 4.41 0.00 3.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 3.76 0.00 4.09 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 62 G 7.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00