NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0444 8.2048 120.4272 55.4025 33.3050 174.8172 2 Q 4.0888 8.5736 126.2151 54.9821 30.2226 173.5204 3 S 5.2118 8.7730 117.6341 56.6582 64.9291 172.5807 4 I 4.8355 8.9026 126.5889 59.2757 41.9720 174.3228 5 N 5.2444 8.5069 123.8491 50.8002 39.3805 175.9666 6 F 3.9613 8.8639 119.3973 61.6675 39.3122 176.7501 7 R 4.0480 8.3699 117.1288 59.9258 29.7913 179.0310 8 T 3.8350 8.3806 114.8801 66.4161 68.3274 176.6532 9 A 3.8720 7.7999 121.7234 55.1942 18.3818 179.4876 10 R 3.8336 7.8163 116.0971 59.4833 30.3350 178.7761 11 G 3.8304 8.2200 106.5849 47.2528 0.0000 174.3100 12 N 5.0553 8.3215 118.0271 51.2775 39.2033 180.0804 13 L 4.0224 8.1622 123.8336 59.4706 41.6999 178.8395 14 S 4.1759 8.0735 116.9953 62.2158 62.8818 176.9054 15 E 4.0681 8.0639 120.4655 60.6567 29.5918 180.9847 16 V 3.7708 7.7655 118.1061 66.2610 31.5820 178.2224 17 L 4.0308 7.9835 118.6726 57.5626 41.3470 179.3529 18 N 4.2782 7.8592 116.4982 56.5159 38.6273 176.8942 19 N 4.2770 8.1770 117.8109 56.5602 38.5389 177.6896 20 V 3.8564 7.7078 120.6491 65.4916 31.4895 177.7647 21 E 3.9135 8.4126 117.9553 59.0035 29.5156 177.9516 22 A 4.2641 7.8091 118.8335 52.5191 18.5972 177.8663 23 G 4.0428 8.0124 106.0402 44.8017 0.0000 173.5978 24 E 4.3613 8.2496 120.9998 55.5084 31.7065 175.0240 25 E 4.7588 8.6896 124.2309 54.7998 31.9615 174.8120 26 V 4.7252 8.3801 125.5324 61.0208 33.9308 173.9540 27 E 4.7924 9.4358 130.1090 55.5220 31.2601 174.7658 28 I 4.9879 8.7445 128.5861 60.0523 39.1458 175.0336 29 T 4.7753 8.9566 118.4861 60.7171 71.2217 174.0947 30 R 4.8068 8.2156 120.7470 53.9827 34.7280 174.5029 31 R 3.8986 8.8051 123.0312 57.7641 30.0137 176.0761 32 G 3.8933 9.0348 114.7470 46.4864 0.0000 172.4559 33 R 4.7007 7.6144 116.0819 53.8799 34.5546 175.0352 34 E 4.2120 8.4384 118.6626 55.7993 30.1201 175.4336 35 P 4.7475 0.0000 0.0000 62.5665 32.4405 175.5424 36 A 4.7900 8.8491 124.6653 50.3189 22.4747 175.5294 37 V 4.7442 8.0612 117.8156 61.2421 34.5083 174.2805 38 I 4.5681 8.7808 128.6016 59.4183 40.0636 174.5222 39 V 4.7015 7.9464 126.5390 60.2087 34.4342 173.6720 40 S 4.1310 8.6631 116.2739 58.4134 63.0313 175.1346 41 K 3.9942 8.8239 127.6483 59.4747 31.9789 178.7271 42 A 4.0725 8.0129 120.5829 55.6497 18.1924 179.5141 43 T 3.4975 7.3669 112.5212 66.6226 68.4382 176.6570 44 F 4.0636 8.1669 122.4234 61.4278 39.4713 177.0683 45 E 3.7836 9.0875 119.0771 59.0551 29.0992 179.1970 46 A 3.9464 8.1422 121.3700 55.2986 18.3664 179.1763 47 Y 4.3035 7.9331 115.5362 61.3691 37.9892 179.1462 48 K 3.8143 7.9803 119.3640 59.1599 31.8664 179.3114 49 K 3.8596 8.3084 118.8332 59.4254 32.2526 178.2063 50 A 4.1288 7.9667 119.5072 55.3830 18.3917 179.1843 51 A 4.0424 8.1272 118.0472 54.7398 18.4865 178.0762 52 L 4.3057 7.7575 121.1040 55.0163 42.0440 176.5279 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 8.20 5.04 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 2 Q 8.57 4.09 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 3 S 8.77 5.21 0.00 3.86 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 4 I 8.90 4.84 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 1.28 1.50 0.89 0.00 0.00 5 N 8.51 5.24 0.00 3.05 2.98 0.00 0.00 6.37 8.12 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 6 F 8.86 3.96 0.00 3.18 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 7 R 8.37 4.05 0.00 1.93 2.04 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 8 T 8.38 3.84 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 1.18 0.00 0.00 9 A 7.80 3.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.83 0.00 0.93 1.67 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 11 G 8.22 3.83 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 0.00 0.00 0.00 12 N 8.32 5.06 0.00 2.57 2.72 0.00 0.00 6.50 6.45 0.00 0.00 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 8.16 4.02 0.00 1.91 1.66 0.92 0.89 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 14 S 8.07 4.18 0.00 3.88 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 15 E 8.06 4.07 0.00 1.97 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 1.93 0.00 16 V 7.77 3.77 2.18 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 0.93 0.00 0.00 0.92 0.00 0.00 17 L 7.98 4.03 0.00 1.88 1.68 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.86 4.28 0.00 2.88 2.85 0.00 0.00 6.91 7.89 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 19 N 8.18 4.28 0.00 2.90 2.88 0.00 0.00 6.76 7.25 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 20 V 7.71 3.86 2.26 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 1.31 0.00 0.00 1.02 0.00 0.00 21 E 8.41 3.91 0.00 2.06 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 2.31 2.32 0.00 22 A 7.81 4.26 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 23 G 8.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.36 0.00 2.16 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 2.28 2.34 0.00 25 E 8.69 4.76 0.00 1.98 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 2.38 2.34 0.00 26 V 8.38 4.73 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 0.99 0.00 0.00 0.92 0.00 0.00 27 E 9.44 4.79 0.00 2.05 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 2.28 2.43 0.00 28 I 8.74 4.99 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.96 0.00 0.00 29 T 8.96 4.78 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 1.27 0.00 0.00 30 R 8.22 4.81 0.00 1.73 1.76 0.00 3.22 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 31 R 8.81 3.90 0.00 2.02 1.85 0.00 3.45 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 32 G 9.03 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 0.00 0.00 0.00 33 R 7.61 4.70 0.00 1.73 1.78 0.00 3.31 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 34 E 8.44 4.21 0.00 1.96 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 2.31 2.28 0.00 35 P 0.00 4.75 0.00 1.95 2.11 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 36 A 8.85 4.79 1.23 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 0.00 0.00 0.00 37 V 8.06 4.74 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 0.81 0.00 0.00 0.94 0.00 0.00 38 I 8.78 4.57 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.94 0.00 0.00 39 V 7.95 4.70 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 0.58 0.00 0.00 0.95 0.00 0.00 40 S 8.66 4.13 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 3.99 0.00 1.87 1.80 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.59 7.81 42 A 8.01 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 3.50 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 0.56 0.00 0.00 44 F 8.17 4.06 0.00 3.10 3.17 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 0.00 0.00 0.00 0.00 45 E 9.09 3.78 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 2.49 2.48 0.00 46 A 8.14 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.30 0.00 2.95 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 48 K 7.98 3.81 0.00 1.74 1.71 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.02 7.81 49 K 8.31 3.86 0.00 1.80 1.94 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 50 A 7.97 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.13 4.04 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 52 L 7.76 4.31 0.00 1.82 1.57 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00