NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.4039 8.1127 119.6579 56.1765 32.5063 173.4914 5 E 4.7403 8.3552 119.6564 53.3024 32.7254 172.9590 6 C 4.3303 9.6381 127.8184 59.7121 32.6188 173.4559 7 D 4.4773 8.7753 126.4680 55.8862 39.6872 175.8540 8 Y 4.4012 7.1004 118.5120 58.8601 41.2161 176.3022 9 C 4.3641 7.5267 113.5627 59.0161 30.7102 175.5645 10 G 4.0461 8.3754 106.6796 44.8083 0.0000 173.3637 11 T 4.2886 7.7305 110.0199 61.1906 70.7437 173.3281 12 D 4.9713 8.4809 122.4543 54.1605 41.5572 176.4140 13 I 3.9806 8.2312 125.2736 60.5327 37.5164 175.8584 14 E 3.8812 8.9908 128.8557 55.5754 29.7616 174.8550 15 P 4.2214 0.0000 0.0000 64.5632 31.5340 175.8728 16 G 3.7949 9.8009 108.0586 46.5274 0.0000 172.8423 17 T 4.4337 7.8112 113.5195 62.9259 72.7069 174.1103 18 G 4.0707 9.1197 109.6381 45.5633 0.0000 172.4694 19 T 4.7840 8.2893 113.2319 61.8931 73.2178 173.5735 20 M 4.9810 8.6772 123.8073 53.7517 34.2286 174.7114 21 F 4.6934 9.3129 130.6483 57.7005 40.7045 174.3798 22 V 4.1948 7.8939 127.0235 62.1435 32.2295 175.6265 23 H 4.1045 8.9205 125.7690 54.5963 29.7244 176.3067 24 K 3.8110 8.8018 122.4380 59.8385 31.7938 177.9709 25 D 4.3838 7.9669 115.7009 54.3539 39.4450 176.5253 26 G 3.8928 7.8721 106.0150 44.9234 0.0000 173.8542 27 A 4.2645 9.0928 122.7137 52.5080 19.9448 176.7325 28 T 4.9566 8.2432 114.6232 62.2354 72.2695 173.8035 29 T 4.6289 8.7641 123.2039 62.0459 71.6197 172.9224 30 H 4.9934 9.0486 124.9669 54.9701 30.0711 174.6503 31 F 5.3104 9.3695 123.2475 56.0790 40.9913 176.7153 32 C 4.4648 8.9979 116.1286 59.5846 30.7231 173.7094 33 S 4.5977 7.5103 114.2518 56.4504 66.1180 175.8572 34 S 4.2047 8.3147 118.5747 60.6577 62.7415 176.1348 35 K 3.7503 8.0083 122.8275 59.6777 31.7570 178.3767 36 C 4.1582 7.8289 116.2299 62.8773 27.6212 175.7643 37 E 2.7041 7.7158 120.0863 59.2641 28.7748 179.3546 38 N 4.2595 8.6797 117.3360 56.1782 38.5022 177.3667 39 N 4.4235 8.1933 117.7921 55.9745 38.5363 177.4119 40 A 4.1398 7.7910 122.6056 55.3293 18.2916 179.4745 41 D 4.2703 7.8104 116.0011 56.9432 40.9126 178.1252 42 L 4.3049 7.3917 117.5691 54.8828 41.9086 177.8638 43 G 4.0151 8.1494 107.7930 45.2263 0.0000 174.2283 44 R 4.1562 7.6313 118.9532 56.0076 30.8857 175.8497 45 E 4.4985 8.5677 121.2492 54.5168 31.1780 176.9543 46 A 3.4243 8.0939 125.8106 55.2459 18.4416 180.0243 47 R 3.7988 7.6680 113.4831 59.0831 30.2359 177.5392 48 N 4.4647 8.0167 113.7752 54.1205 38.9914 174.8639 49 L 4.4987 7.2106 119.8564 52.7697 42.6737 177.1985 50 E 3.9305 8.9042 124.4063 59.0578 29.6105 178.6290 51 W 4.4060 8.1120 114.3143 59.1891 28.5175 176.5230 52 T 3.9129 6.6635 116.7631 62.8616 68.4309 175.3836 53 D 4.3662 8.6595 125.6044 57.7582 41.2772 177.8508 54 T 3.8767 8.1711 115.3613 66.6702 68.5793 175.4156 55 A 4.0186 7.6791 122.2959 54.8629 18.7844 177.3724 56 R 4.0941 7.7021 118.6382 56.5760 30.0863 176.3707 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 4 R 8.11 4.40 0.00 1.79 1.93 0.00 3.03 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 5 E 8.36 4.74 0.00 1.93 1.74 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 2.14 2.48 0.00 6 C 9.64 4.33 0.00 3.10 2.90 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 7 D 8.78 4.48 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.10 4.40 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 9 C 7.53 4.36 0.00 3.16 3.36 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 10 G 8.38 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.73 4.29 4.30 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 1.33 0.00 0.00 12 D 8.48 4.97 0.00 2.61 2.67 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 13 I 8.23 3.98 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.97 0.00 0.00 14 E 8.99 3.88 0.00 1.93 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 2.32 2.40 0.00 15 P 0.00 4.22 0.00 2.23 2.08 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.43 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 G 9.12 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.29 4.78 4.36 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 1.29 0.00 0.00 20 M 8.68 4.98 0.00 1.95 1.82 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 2.08 2.40 0.00 21 F 9.31 4.69 0.00 3.37 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.19 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 0.72 0.00 0.00 0.86 0.00 0.00 23 H 8.92 4.10 0.00 3.19 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.80 3.81 0.00 1.74 1.89 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 D 7.97 4.38 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 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 27 A 9.09 4.26 1.17 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 28 T 8.24 4.96 4.25 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 0.00 0.00 0.00 1.24 0.00 0.00 29 T 8.76 4.63 4.29 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 0.64 0.00 0.00 30 H 9.05 4.99 0.00 3.13 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.37 5.31 0.00 3.04 2.90 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 32 C 9.00 4.46 0.00 3.16 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 33 S 7.51 4.60 0.00 4.02 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 34 S 8.31 4.20 0.00 3.96 4.08 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 0.00 0.00 0.00 0.00 35 K 8.01 3.75 0.00 1.73 1.82 0.00 1.37 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.34 1.30 7.81 36 C 7.83 4.16 0.00 3.33 3.08 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 0.00 0.00 0.00 0.00 37 E 7.72 2.70 0.00 1.73 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 1.47 2.04 0.00 38 N 8.68 4.26 0.00 2.61 2.76 0.00 0.00 7.06 6.80 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 39 N 8.19 4.42 0.00 3.01 3.15 0.00 0.00 6.86 6.89 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 40 A 7.79 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.27 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 42 L 7.39 4.30 0.00 1.80 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.15 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 44 R 7.63 4.16 0.00 2.17 2.01 0.00 3.29 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 45 E 8.57 4.50 0.00 1.98 1.78 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 2.35 2.31 0.00 46 A 8.09 3.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.80 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 48 N 8.02 4.46 0.00 2.77 2.85 0.00 0.00 6.96 7.47 0.00 0.00 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 L 7.21 4.50 0.00 1.04 1.07 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.90 3.93 0.00 2.02 2.04 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 2.31 2.31 0.00 51 W 8.11 4.41 0.00 3.55 3.24 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 0.00 52 T 6.66 3.91 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 53 D 8.66 4.37 0.00 2.82 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 54 T 8.17 3.88 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 1.07 0.00 0.00 55 A 7.68 4.02 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 56 R 7.70 4.09 0.00 1.93 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00