NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 3.9957 8.1701 112.8920 60.6848 70.4031 173.6711 7 A 4.6381 7.7835 127.3582 50.3229 19.3247 175.8198 8 F 4.9330 7.4593 120.3976 57.6764 41.1923 175.5626 9 S 4.5066 9.5835 120.3819 57.5711 65.1396 175.4718 10 S 4.0589 8.5416 116.1191 61.6851 61.9976 176.0462 11 E 3.8926 8.0778 120.4427 59.5000 29.2436 178.9343 12 Q 3.7898 7.7884 117.7530 58.9335 28.7314 178.9895 13 L 3.5212 7.9700 120.8280 58.1120 42.1924 178.6710 14 A 3.9392 8.0874 120.8675 55.3175 18.1636 179.6639 15 R 3.7987 7.9455 117.0563 59.4135 30.0983 178.5915 16 L 3.6790 7.8089 119.2010 57.7411 41.5211 179.7800 17 K 4.2128 8.2033 118.7092 59.2107 31.8172 179.4929 18 R 3.9474 8.0899 119.1933 59.4070 29.9651 178.4628 19 E 4.0572 8.4396 118.4895 59.5250 29.3320 179.0089 20 F 4.4693 8.2804 120.8053 60.9673 39.5079 176.6207 21 N 4.5242 8.1671 114.1119 55.4521 38.4121 177.1584 22 E 4.2755 7.7161 119.9381 57.6533 29.5917 176.8545 23 N 4.8786 8.2670 118.1451 52.0454 41.8167 175.2790 24 R 3.2197 8.5687 124.9510 58.0434 30.4690 176.2108 25 Y 4.6170 8.3793 115.5491 55.8356 39.8146 174.8022 26 L 4.4596 8.2036 124.6192 52.8398 44.2594 176.9858 27 T 4.2458 8.1784 116.6492 61.1389 71.1630 175.2694 28 E 4.0007 8.7222 123.7422 60.2098 29.5435 180.4268 29 R 3.9090 7.9076 120.0853 61.6023 29.4523 180.5672 30 R 4.1015 7.9916 119.8761 59.0292 29.9565 178.5895 31 R 3.8094 8.3453 119.1308 59.2608 30.0722 178.4832 32 Q 4.0198 8.6768 120.7265 59.6845 28.7160 179.3854 33 Q 4.0239 8.0306 121.4653 60.4108 28.1416 180.6182 34 L 4.1754 8.1828 121.6359 57.3908 41.6286 179.5320 35 S 4.2544 8.1780 114.5858 60.8801 62.1266 176.2428 36 S 4.0572 7.8258 114.1522 61.5087 62.2367 175.6714 37 E 4.0934 8.3346 120.4161 59.0581 29.3606 178.5920 38 L 4.3279 8.2863 116.6711 53.7835 42.3193 176.7556 39 G 3.9516 7.9726 106.8522 46.7651 0.0000 173.6208 40 L 4.8090 7.4554 117.5653 51.7075 45.0787 176.1132 41 N 4.4336 8.5959 120.0023 53.8460 40.8927 175.9540 42 E 4.0197 8.8348 125.5653 59.3452 29.5629 179.4746 43 A 4.0673 9.0385 121.2917 55.3927 18.4000 179.7205 44 Q 4.1117 8.1394 116.0090 59.1360 28.8692 179.0036 45 I 3.8760 7.7764 120.4947 64.2159 37.3340 178.0412 46 K 3.9260 8.5854 120.9593 59.9462 31.9262 178.5401 47 I 3.9806 8.1840 118.7185 63.7709 37.9049 177.5523 48 W 4.1189 8.7672 129.5530 60.5296 30.5621 178.0139 49 F 4.0041 8.9604 117.7878 60.6958 38.4106 177.7271 50 Q 4.0873 8.1990 117.2596 59.1267 28.4385 178.6243 51 N 4.3053 8.3507 117.6870 56.0452 38.3813 177.1694 52 E 3.3097 7.6866 120.8751 58.7577 29.4033 179.0669 53 R 4.0080 8.0147 118.0943 59.1221 30.1575 178.7367 54 A 3.9775 7.8885 120.5644 55.0129 18.1093 179.6465 55 K 3.7830 7.8463 116.0715 60.0995 32.2314 178.9699 56 I 3.7840 7.3909 120.8712 64.8882 37.0886 178.5419 57 K 4.0673 8.0622 127.1069 60.3601 31.6701 180.0576 58 K 4.5285 7.9669 127.7526 56.7047 31.9956 178.2616 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 T 8.17 4.00 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 7 A 7.78 4.64 1.22 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 0.00 0.00 8 F 7.46 4.93 0.00 2.98 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 9 S 9.58 4.51 0.00 4.00 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 10 S 8.54 4.06 0.00 3.91 3.91 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 11 E 8.08 3.89 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 12 Q 7.79 3.79 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 13 L 7.97 3.52 0.00 1.75 1.77 1.01 1.58 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 14 A 8.09 3.94 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 15 R 7.95 3.80 0.00 1.92 1.94 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 16 L 7.81 3.68 0.00 0.70 0.13 -0.46 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.20 4.21 0.00 1.92 1.94 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.64 7.81 18 R 8.09 3.95 0.00 2.01 2.11 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 19 E 8.44 4.06 0.00 2.45 2.31 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 2.59 2.56 0.00 20 F 8.28 4.47 0.00 3.04 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.52 0.00 2.93 2.91 0.00 0.00 7.11 6.94 0.00 0.00 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 E 7.72 4.28 0.00 2.10 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 2.37 2.60 0.00 23 N 8.27 4.88 0.00 2.68 2.68 0.00 0.00 7.30 7.24 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 24 R 8.57 3.22 0.00 1.22 1.28 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.00 25 Y 8.38 4.62 0.00 3.05 2.93 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 26 L 8.20 4.46 0.00 0.29 1.05 0.63 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.18 4.25 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 28 E 8.72 4.00 0.00 2.02 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 2.39 2.37 0.00 29 R 7.91 3.91 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 30 R 7.99 4.10 0.00 1.86 2.00 0.00 3.22 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 31 R 8.35 3.81 0.00 1.86 2.08 0.00 3.33 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 1.61 1.64 0.00 32 Q 8.68 4.02 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 33 Q 8.03 4.02 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 34 L 8.18 4.18 0.00 1.64 1.72 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.18 4.25 0.00 3.94 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 36 S 7.83 4.06 0.00 3.91 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 37 E 8.33 4.09 0.00 1.98 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 0.00 2.33 2.41 0.00 38 L 8.29 4.33 0.00 1.55 1.57 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.97 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 40 L 7.46 4.81 0.00 1.62 1.53 0.33 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.60 4.43 0.00 2.79 2.74 0.00 0.00 7.16 7.65 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 42 E 8.83 4.02 0.00 2.07 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 2.40 2.39 0.00 43 A 9.04 4.07 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 44 Q 8.14 4.11 0.00 2.43 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 45 I 7.78 3.88 2.07 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 1.33 0.84 1.05 0.00 0.00 46 K 8.59 3.93 0.00 1.96 2.10 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 47 I 8.18 3.98 2.08 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 1.47 1.34 1.15 0.00 0.00 48 W 8.77 4.12 0.00 3.78 3.48 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 49 F 8.96 4.00 0.00 3.44 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 50 Q 8.20 4.09 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 51 N 8.35 4.31 0.00 2.55 2.68 0.00 0.00 6.67 7.72 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 52 E 7.69 3.31 0.00 1.16 1.12 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 1.47 1.47 0.00 53 R 8.01 4.01 0.00 2.09 1.97 0.00 3.01 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 54 A 7.89 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 3.78 0.00 1.73 1.79 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.51 7.81 56 I 7.39 3.78 2.03 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 1.67 0.84 0.93 0.00 0.00 57 K 8.06 4.07 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.37 7.81 58 K 7.97 4.53 0.00 1.86 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.30 7.81