NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9814 7.9085 120.3894 62.4132 32.9322 176.1933 7 A 3.7351 8.3939 127.8835 54.4710 18.3424 178.4171 8 C 3.6831 7.6775 117.1746 62.5572 32.1774 174.1581 9 T 3.8383 7.5540 110.8902 64.8469 68.5117 176.3544 10 L 3.9558 8.0518 121.9005 57.2821 41.6214 179.3179 11 A 3.9346 8.1931 120.8124 54.9950 18.2559 179.5785 12 A 4.0254 7.7155 118.9980 55.3875 18.5359 179.9081 13 L 4.0000 7.8945 117.3886 57.8817 41.5890 179.5980 14 I 3.6887 7.8646 118.6162 64.0248 37.8484 177.9268 15 L 3.9762 8.0359 119.8668 58.1396 41.3384 179.0435 16 H 4.0729 8.4609 118.2174 59.1691 29.5615 176.7919 17 D 4.3170 8.0787 119.0881 57.5305 41.1556 177.8047 18 D 4.5330 8.2402 118.7186 55.5236 40.7530 177.4149 19 G 3.9198 7.6859 107.1302 45.2091 0.0000 172.6450 20 I 4.4912 7.5310 118.9769 57.6352 40.1172 173.7421 21 P 4.3835 0.0000 0.0000 62.8544 31.7692 176.7480 22 I 4.1507 8.0912 121.8927 60.6352 36.1291 175.1011 23 T 4.7467 7.7857 118.7491 59.0964 72.1880 173.7097 24 S 4.1016 8.4860 115.6785 61.3449 62.2928 175.6270 25 E 3.9669 8.1128 120.6959 59.5049 29.2051 179.3964 26 K 3.9728 7.9749 117.9188 59.4478 32.1211 179.1465 27 I 3.6488 8.0823 118.8841 63.9405 37.8057 177.7591 28 A 3.9627 8.1519 121.7174 55.3726 18.2263 179.5312 29 T 3.7490 8.1067 111.6826 65.3165 67.4691 176.6071 30 V 3.5749 7.5201 120.2930 65.8574 31.4272 178.1029 31 V 3.5429 7.9895 118.2001 66.0116 31.1538 178.1696 32 K 3.9480 8.1298 116.9775 59.4297 31.9566 178.8373 33 A 4.0979 7.9166 119.8108 55.1188 18.3248 179.2104 34 A 4.0820 7.8264 118.6701 53.7506 18.5049 178.6882 35 G 3.9257 7.7311 103.5196 45.1138 0.0000 173.1042 36 I 4.0513 7.1869 119.5442 59.3150 38.9376 175.3736 37 K 4.0863 8.3202 128.3975 56.2265 32.7801 176.2896 38 V 3.9112 8.1300 124.6375 62.3571 31.5076 175.1344 39 E 4.7389 8.6082 125.0844 54.3650 32.3419 176.5099 40 A 4.1583 8.9510 127.5727 55.4642 19.1648 178.7294 41 Y 3.8594 8.2624 116.1009 60.4614 38.7684 178.1075 42 W 4.0662 8.0021 116.6909 59.4873 29.2161 176.8078 43 P 4.3547 0.0000 0.0000 65.4842 30.8804 178.5393 44 A 3.9432 8.0991 119.7476 54.9666 18.2521 179.4347 45 L 3.6454 7.9531 119.1734 58.0164 42.0789 178.9902 46 F 3.6696 8.4543 120.5436 61.1185 39.3181 176.9458 47 A 3.9738 8.2673 120.5018 55.0133 17.9482 179.4991 48 K 3.7867 7.5989 116.6897 59.4578 32.3297 178.4846 49 L 3.9740 7.8801 119.9432 58.1964 42.0023 178.7988 50 L 3.8995 7.6672 118.6816 56.1910 41.5903 177.0756 51 E 3.7428 7.5119 119.2129 57.6714 29.8763 176.2831 52 K 3.8390 8.6799 123.8196 57.0222 30.7572 174.6279 53 R 4.4485 7.2770 115.9918 53.9317 31.6871 176.7696 54 S 4.2602 8.3340 118.3531 58.1319 62.3123 175.0488 55 V 3.6005 8.1054 123.7300 64.1639 31.2163 177.9753 56 D 4.3375 7.9054 117.2377 57.6436 40.8629 178.1925 57 D 4.4792 7.6385 117.3705 57.1833 40.9657 178.2791 58 L 4.0746 7.6736 120.9318 58.2887 41.9019 178.8618 59 I 3.6541 7.3343 118.0549 63.9556 37.1539 176.3842 60 L 4.4699 7.5381 119.1984 55.0269 43.2731 177.0950 61 S 4.6722 7.7969 114.1033 59.7541 61.2504 173.3574 62 V 3.6423 9.6612 118.5157 62.6456 31.5589 170.3774 63 G 4.0235 8.3781 113.1090 45.1855 0.0000 174.0576 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 6 V 7.91 3.98 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 0.91 0.00 0.00 0.95 0.00 0.00 7 A 8.39 3.74 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 8 C 7.68 3.68 0.00 2.83 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 9 T 7.55 3.84 4.33 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 1.38 0.00 0.00 10 L 8.05 3.96 0.00 1.72 1.72 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.19 3.93 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 12 A 7.72 4.03 1.67 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 0.00 0.00 13 L 7.89 4.00 0.00 1.80 1.76 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.86 3.69 1.86 0.00 0.00 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 1.51 1.49 0.96 0.00 0.00 15 L 8.04 3.98 0.00 1.94 1.90 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.46 4.07 0.00 3.31 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.08 4.32 0.00 2.94 2.78 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 18 D 8.24 4.53 0.00 2.87 2.71 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 19 G 7.69 3.92 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 0.00 0.00 0.00 20 I 7.53 4.49 1.87 0.00 0.00 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 1.36 0.97 0.95 0.00 0.00 21 P 0.00 4.38 0.00 2.24 2.06 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 22 I 8.09 4.15 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 1.12 0.00 0.00 23 T 7.79 4.75 4.26 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 1.26 0.00 0.00 24 S 8.49 4.10 0.00 3.95 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 25 E 8.11 3.97 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 2.41 2.41 0.00 26 K 7.97 3.97 0.00 1.92 1.87 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.56 7.81 27 I 8.08 3.65 1.89 0.00 0.00 0.66 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 1.49 1.04 0.00 0.00 28 A 8.15 3.96 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 29 T 8.11 3.75 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 1.29 0.00 0.00 30 V 7.52 3.57 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 0.91 0.00 0.00 0.92 0.00 0.00 31 V 7.99 3.54 2.25 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 0.97 0.00 0.00 0.90 0.00 0.00 32 K 8.13 3.95 0.00 1.94 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 33 A 7.92 4.10 1.34 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 34 A 7.83 4.08 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 35 G 7.73 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 36 I 7.19 4.05 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.88 0.00 0.00 37 K 8.32 4.09 0.00 1.73 1.67 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.37 7.81 38 V 8.13 3.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 39 E 8.61 4.74 0.00 2.28 2.36 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 2.27 2.05 0.00 40 A 8.95 4.16 1.38 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 0.00 0.00 0.00 41 Y 8.26 3.86 0.00 2.98 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 4.07 0.00 3.45 3.10 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 43 P 0.00 4.35 0.00 2.13 2.14 0.00 4.27 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.08 0.00 44 A 8.10 3.94 1.29 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 45 L 7.95 3.65 0.00 0.90 1.59 0.90 0.82 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 46 F 8.45 3.67 0.00 3.45 3.29 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 47 A 8.27 3.97 1.38 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 0.00 0.00 0.00 48 K 7.60 3.79 0.00 1.85 1.91 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 49 L 7.88 3.97 0.00 1.62 1.45 0.84 0.86 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 50 L 7.67 3.90 0.00 1.61 1.58 -0.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.51 3.74 0.00 1.99 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 2.30 2.29 0.00 52 K 8.68 3.84 0.00 1.90 1.84 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.39 7.81 53 R 7.28 4.45 0.00 1.72 1.95 0.00 3.24 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 54 S 8.33 4.26 0.00 3.91 3.75 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 55 V 8.11 3.60 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 0.81 0.00 0.00 0.59 0.00 0.00 56 D 7.91 4.34 0.00 2.63 2.73 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 57 D 7.64 4.48 0.00 2.62 2.72 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 58 L 7.67 4.07 0.00 1.66 1.65 0.91 1.01 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 59 I 7.33 3.65 2.00 0.00 0.00 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 1.20 0.82 0.92 0.00 0.00 60 L 7.54 4.47 0.00 1.55 1.67 0.92 1.19 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 S 7.80 4.67 0.00 3.86 3.53 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 0.00 0.00 0.00 0.00 62 V 9.66 3.64 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 63 G 8.38 4.02 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 0.00 0.00 0.00