NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1114 8.2549 117.2586 54.8968 30.6057 175.2596 2 P 4.0262 0.0000 0.0000 62.0561 32.1521 175.7539 3 D 4.3855 8.3071 120.4981 57.3540 42.1521 178.8277 4 F 4.3424 7.7487 113.7809 59.8119 37.9229 177.4742 5 C 4.6215 6.9946 116.4926 58.8319 40.2098 174.1671 6 L 4.4261 7.8445 118.5449 55.2441 42.8716 176.9763 7 E 3.9205 7.9357 117.0174 56.2928 29.8948 175.5867 8 P 4.4591 0.0000 0.0000 61.1114 32.2492 174.5591 9 P 3.7439 0.0000 0.0000 62.6483 31.4714 175.2285 10 Y 4.6736 7.8288 120.8415 56.0937 40.9071 175.4437 11 T 4.1883 8.2696 124.8033 65.1982 68.9008 176.1591 12 G 3.7982 6.7859 104.1328 44.4252 0.0000 171.2352 13 P 4.3475 0.0000 0.0000 63.6408 31.7992 177.1853 14 C 4.5436 7.6477 117.7733 56.3621 41.1451 173.7656 15 K 4.0617 8.1673 118.0091 57.1454 33.0451 176.5115 16 A 4.1954 7.9524 123.0983 51.8742 19.9423 177.1642 17 R 4.9571 8.0128 116.5263 54.3744 30.2821 174.1897 18 I 4.4607 8.2061 122.2327 59.0852 40.2128 175.5616 19 I 4.1263 8.2041 127.3438 61.5313 37.7112 175.4698 20 R 4.6819 8.2378 124.2613 54.7273 35.0388 173.4508 21 Y 5.7426 9.7107 118.6328 56.5296 41.2222 175.1620 22 F 5.7979 9.2735 116.5347 55.2841 41.9054 173.0957 23 Y 4.4678 9.5740 122.5029 57.4345 40.1714 173.6043 24 N 4.8856 8.2412 126.3591 51.8315 39.6428 175.2074 25 A 3.7894 8.6577 130.3186 55.0737 18.1302 178.0234 26 K 3.5764 7.5620 112.1961 60.1240 32.5308 177.6298 27 A 3.9223 7.9833 127.4422 53.7092 18.7835 178.3004 28 G 3.8958 7.9428 103.2200 45.7665 0.0000 173.0944 29 L 4.8491 6.8806 117.5486 53.7658 44.4235 175.5667 30 C 4.9588 8.6630 117.0546 57.0923 41.3423 172.9279 31 Q 4.8027 8.6985 120.9561 54.4639 33.5159 174.1940 32 T 4.9459 8.5775 110.5171 61.7373 70.6645 173.4945 33 F 4.9705 8.8549 116.9143 56.3808 42.1143 172.4933 34 V 4.5633 8.4771 118.8541 61.4578 32.2084 173.9954 35 Y 4.8310 8.6116 129.6171 56.0794 40.9233 175.9761 36 G 4.1734 8.2166 112.0905 44.8481 0.0000 174.6583 37 G 3.7057 5.9931 107.8240 45.4960 0.0000 172.8582 38 C 4.9198 6.8605 111.5463 54.7512 44.7577 173.2147 39 R 3.7806 8.7747 116.3680 57.3105 26.8918 176.9822 40 A 4.3214 8.1136 119.2821 52.3023 17.9907 178.2212 41 K 4.3477 8.4398 120.9155 55.1580 33.6034 178.2492 42 R 3.6387 8.0291 118.3094 58.5864 30.2819 177.4265 43 N 4.7974 6.9542 116.9670 51.0526 36.7674 173.3761 44 N 4.9166 6.8402 115.4811 52.8257 41.8555 173.4082 45 F 4.8790 9.8639 126.6501 55.4598 41.8682 176.6315 46 K 3.8447 9.2879 125.1957 58.6255 32.6521 177.1747 47 S 4.8771 8.0225 111.5391 56.4310 65.7474 174.4772 48 A 3.4115 7.8138 128.9784 54.6203 18.1048 179.7596 49 E 3.7317 7.8595 117.5418 59.5194 29.6846 178.6988 50 D 4.2190 7.9701 118.9378 57.2382 40.8398 177.7747 51 C 2.4500 7.4892 118.7027 59.3955 42.8777 175.6681 52 M 3.8476 8.0206 118.8474 58.2262 30.6391 178.3828 53 R 3.7623 7.8774 119.2997 59.4483 30.3183 178.2660 54 T 4.1333 7.7438 114.4910 65.3226 68.6999 174.7623 55 C 4.5380 8.0357 115.2007 55.9769 42.4496 174.2241 56 G 3.5514 7.8592 113.7541 45.4256 0.0000 173.5603 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 R 8.25 4.11 0.00 1.70 1.79 0.00 2.99 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 2 P 0.00 4.03 0.00 1.01 1.59 0.00 3.41 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 3 D 8.31 4.39 0.00 2.72 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 4 F 7.75 4.34 0.00 3.21 3.38 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 5 C 6.99 4.62 0.00 3.05 3.30 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 6 L 7.84 4.43 0.00 1.69 1.76 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.94 3.92 0.00 2.25 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 2.45 2.52 0.00 8 P 0.00 4.46 0.00 1.95 1.90 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 9 P 0.00 3.74 0.00 0.53 0.49 0.00 3.22 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 10 Y 7.83 4.67 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.19 4.12 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 1.18 0.00 0.00 12 G 6.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.65 4.54 0.00 2.82 2.99 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 0.00 0.00 0.00 15 K 8.17 4.06 0.00 1.80 1.86 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 A 7.95 4.20 1.13 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 0.00 0.00 17 R 8.01 4.96 0.00 1.59 1.77 0.00 3.14 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 18 I 8.21 4.46 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.93 0.00 0.00 19 I 8.20 4.13 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.54 0.00 0.00 20 R 8.24 4.68 0.00 0.69 1.62 0.00 3.31 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 21 Y 9.71 5.74 0.00 3.03 3.01 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 22 F 9.27 5.80 0.00 3.27 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 23 Y 9.57 4.47 0.00 3.20 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 24 N 8.24 4.89 0.00 2.31 2.46 0.00 0.00 6.68 7.86 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 25 A 8.66 3.79 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 3.58 0.00 1.88 1.76 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 27 A 7.98 3.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.94 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 0.00 0.00 0.00 29 L 6.88 4.85 0.00 1.65 1.69 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.96 0.00 2.86 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 31 Q 8.70 4.80 0.00 1.48 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 32 T 8.58 4.95 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 1.22 0.00 0.00 33 F 8.85 4.97 0.00 3.04 3.16 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 34 V 8.48 4.56 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.61 4.83 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 4.17 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 0.00 0.00 0.00 37 G 5.99 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 38 C 6.86 4.92 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 3.78 0.00 2.16 2.21 0.00 3.30 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 40 A 8.11 4.32 0.93 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 41 K 8.44 4.35 0.00 1.82 1.65 0.00 1.36 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.28 1.13 7.81 42 R 8.03 3.64 0.00 0.84 0.66 0.00 2.81 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.00 43 N 6.95 4.80 0.00 3.24 2.88 0.00 0.00 6.92 7.67 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 44 N 6.84 4.92 0.00 2.74 2.54 0.00 0.00 7.09 7.02 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 45 F 9.86 4.88 0.00 3.35 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 9.29 3.84 0.00 1.77 1.94 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 8.02 4.88 0.00 3.93 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 48 A 7.81 3.41 0.45 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.86 3.73 0.00 1.96 1.88 0.00 0.00 0.00 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 2.34 0.00 50 D 7.97 4.22 0.00 3.04 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 51 C 7.49 2.45 0.00 2.74 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 52 M 8.02 3.85 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 53 R 7.88 3.76 0.00 1.73 2.03 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.74 4.13 4.11 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 0.00 0.00 0.00 1.52 0.00 0.00 55 C 8.04 4.54 0.00 2.74 2.13 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 56 G 7.86 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00