NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3942 8.1627 118.1923 54.3016 33.2915 176.0625 2 K 3.6150 8.2236 124.4448 56.9474 33.1706 174.3128 3 G 4.0027 9.9765 107.7459 46.3921 0.0000 174.1125 4 M 3.4636 7.7433 117.1268 56.4961 29.5553 178.7121 5 S 4.5186 9.6015 111.7483 57.3657 61.2368 172.4256 6 K 4.4657 7.5008 120.8510 56.8966 40.3500 175.1531 7 M 3.8293 8.3885 131.7119 54.9111 32.5646 174.0828 8 P 4.4835 0.0000 0.0000 62.0268 32.4676 177.8667 9 Q 4.0969 8.5935 116.3044 57.0578 28.8698 177.0797 10 F 4.3655 8.1733 121.7155 60.0139 40.1432 177.5069 11 L 3.0795 7.5268 116.9701 56.0865 41.2943 178.1212 12 N 4.1893 8.0444 116.5019 56.5670 38.6897 175.5149 13 R 4.3324 7.1634 115.3994 55.4187 30.8481 176.1998 14 W 4.9146 9.2721 119.2801 54.3376 30.8765 174.4038 15 P 4.4810 0.0000 0.0000 62.2856 31.9231 177.2713 16 R 3.8659 8.8538 120.9844 59.9086 29.4342 178.2846 17 E 3.9855 8.1774 117.1173 60.2354 29.3884 178.6040 18 V 3.7809 8.7687 119.1069 64.2718 31.4487 178.8336 19 L 3.9006 7.4383 117.1437 57.5005 42.3217 178.8226 20 D 4.4538 8.1869 118.5601 57.7589 40.8016 179.2199 21 L 3.9973 9.1924 121.1596 58.0383 42.0489 179.1869 22 V 3.6163 7.7081 117.6708 66.2701 31.5360 177.9411 23 R 3.9260 8.2461 117.0472 59.0120 30.1366 178.7213 24 K 4.1240 7.9319 118.8055 59.3255 32.3070 179.0606 25 V 4.5615 8.4275 119.5036 65.0430 31.3693 177.5215 26 A 4.0765 8.2449 120.5485 54.5449 17.7961 179.1198 27 E 3.9606 8.1407 118.6405 59.1786 29.8140 178.6646 28 E 4.0530 8.1033 116.5697 58.9779 30.1036 178.2923 29 N 4.5695 7.8435 116.1702 53.8447 39.3999 174.5754 30 G 3.6093 8.9796 104.7326 44.8392 0.0000 171.6224 31 R 4.3958 7.7082 112.9442 54.1891 32.9135 175.1047 32 S 4.5228 8.2128 113.6594 57.4720 66.4619 174.3688 33 V 3.7245 8.0832 119.4711 66.4134 31.3781 177.4124 34 N 4.2108 8.1736 116.2886 57.1337 38.6215 176.7429 35 S 4.2039 7.8817 116.4474 61.2966 62.8299 176.3001 36 E 3.9828 8.2292 122.3232 59.2529 29.3261 178.9188 37 I 3.7968 7.6947 119.4867 64.4955 37.2732 177.6473 38 Y 3.8853 8.1020 120.4722 60.6641 38.0895 177.9999 39 Q 3.9449 8.1822 119.0396 59.1278 28.7229 179.0308 40 R 3.9510 7.9939 119.0774 59.0034 29.8412 179.2563 41 V 3.2440 7.9157 118.5491 65.8392 31.2145 177.7733 42 M 3.6490 7.3309 117.1863 57.0885 31.9505 178.0557 43 E 4.0668 7.4793 119.5502 59.1815 28.8340 178.7026 44 S 4.2865 7.7751 113.4358 60.7908 62.9694 176.0778 45 F 4.7787 7.8404 121.5824 60.1645 38.1295 177.8177 46 K 4.0878 8.0376 118.5558 59.1600 31.6066 179.4917 47 K 4.1530 7.4846 118.4139 59.0730 31.9799 178.6908 48 E 4.2630 7.5775 115.0581 56.8744 29.5561 177.7004 49 G 3.9482 7.7782 106.1622 45.6905 0.0000 174.2481 50 R 4.2451 7.7195 116.6238 56.6505 30.5325 177.1753 51 I 4.4513 7.2595 116.1765 59.6288 40.6610 177.5882 52 G 3.4566 7.2765 108.2230 48.4100 0.0000 173.2065 53 A 4.1719 7.7671 125.2118 51.3230 18.6008 176.7174 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 8.16 4.39 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 K 8.22 3.61 0.00 1.81 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 3 G 9.98 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 0.00 0.00 0.00 4 M 7.74 3.46 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 5 S 9.60 4.52 0.00 3.97 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 6 K 7.50 4.47 0.00 1.72 1.61 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 M 8.39 3.83 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 8 P 0.00 4.48 0.00 2.24 2.11 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 9 Q 8.59 4.10 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 10 F 8.17 4.37 0.00 3.02 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 11 L 7.53 3.08 0.00 1.56 1.48 0.82 -0.83 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 12 N 8.04 4.19 0.00 2.64 2.83 0.00 0.00 6.99 7.64 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 13 R 7.16 4.33 0.00 1.79 2.05 0.00 3.17 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 14 W 9.27 4.91 0.00 3.43 3.13 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 0.00 15 P 0.00 4.48 0.00 2.39 2.18 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.89 0.00 16 R 8.85 3.87 0.00 1.92 2.04 0.00 3.21 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 17 E 8.18 3.99 0.00 1.96 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 2.32 2.45 0.00 18 V 8.77 3.78 2.28 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 0.85 0.00 0.00 0.94 0.00 0.00 19 L 7.44 3.90 0.00 1.89 1.72 1.31 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.19 4.45 0.00 3.03 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 21 L 9.19 4.00 0.00 2.01 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.71 3.62 2.34 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 1.09 0.00 0.00 1.18 0.00 0.00 23 R 8.25 3.93 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 24 K 7.93 4.12 0.00 2.02 1.94 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 V 8.43 4.56 2.15 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 1.05 0.00 0.00 1.02 0.00 0.00 26 A 8.24 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.96 0.00 2.17 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 2.31 0.00 28 E 8.10 4.05 0.00 2.19 2.20 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 2.50 2.46 0.00 29 N 7.84 4.57 0.00 2.88 2.93 0.00 0.00 7.38 7.53 0.00 0.00 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 G 8.98 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 R 7.71 4.40 0.00 1.90 1.90 0.00 3.58 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 32 S 8.21 4.52 0.00 4.02 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 33 V 8.08 3.72 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 1.00 0.00 0.00 0.94 0.00 0.00 34 N 8.17 4.21 0.00 2.72 2.74 0.00 0.00 7.05 7.50 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 35 S 7.88 4.20 0.00 4.00 3.90 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 36 E 8.23 3.98 0.00 2.26 2.07 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 2.34 2.43 0.00 37 I 7.69 3.80 1.88 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 1.61 0.69 0.99 0.00 0.00 38 Y 8.10 3.89 0.00 3.11 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 39 Q 8.18 3.94 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 40 R 7.99 3.95 0.00 1.86 1.95 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 41 V 7.92 3.24 1.97 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 0.27 0.00 0.00 0.90 0.00 0.00 42 M 7.33 3.65 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 43 E 7.48 4.07 0.00 1.98 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 0.00 2.29 2.44 0.00 44 S 7.78 4.29 0.00 4.12 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 45 F 7.84 4.78 0.00 3.31 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 46 K 8.04 4.09 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 47 K 7.48 4.15 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.74 7.81 48 E 7.58 4.26 0.00 2.08 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 2.33 2.55 0.00 49 G 7.78 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 0.00 0.00 0.00 50 R 7.72 4.25 0.00 1.57 1.77 0.00 2.81 0.00 0.00 2.96 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 51 I 7.26 4.45 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.95 0.00 0.00 52 G 7.28 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.77 4.17 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