NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 5.1720 7.9800 110.8896 61.4161 71.2272 173.4511 2 T 4.5858 8.7341 122.1376 60.0310 68.8367 173.3295 3 C 4.9590 9.8633 128.0477 55.3515 42.8672 172.6523 4 C 4.8244 8.2257 119.9510 54.4193 42.8536 172.4983 5 P 3.5540 0.0000 0.0000 64.9721 31.4753 176.5247 6 S 4.7472 7.2960 110.5460 55.7008 65.6719 174.9309 7 I 3.8513 8.2027 124.5173 64.3732 36.6167 178.6099 8 V 3.5628 7.8749 118.5367 66.2110 31.2171 177.8441 9 A 3.9949 7.9601 120.2198 54.8980 18.0813 179.6664 10 R 3.8517 7.7670 116.9012 59.8155 30.2289 178.8288 11 S 4.1736 8.4933 115.4208 61.4257 62.7363 176.1395 12 N 4.3319 8.4702 120.0305 56.6853 38.7437 176.5699 13 F 4.1866 8.6907 122.4308 61.4065 39.2175 176.8328 14 N 4.2972 8.3610 115.2196 56.4758 38.7746 177.3035 15 V 3.7048 8.1357 119.9481 65.9416 31.3370 177.1928 16 C 4.2200 8.3676 117.9369 59.5173 44.9058 174.9496 17 R 4.2175 7.5912 117.4185 55.8838 29.4236 177.9916 18 L 3.8688 7.2977 122.4445 57.7060 42.0782 176.1740 19 P 4.5242 0.0000 0.0000 62.7838 31.2886 175.8846 20 G 3.7697 7.9212 106.0544 46.8208 0.0000 174.3519 21 T 4.0601 7.6472 115.4571 61.8182 69.5800 173.7228 22 P 4.2203 0.0000 0.0000 63.1119 33.0085 177.3446 23 E 3.9504 8.8575 120.3684 59.6175 29.6682 179.2864 24 A 4.1074 8.0555 121.3768 54.6394 18.3959 178.9483 25 L 3.9283 7.9492 118.2771 58.8751 42.2263 179.9210 26 C 4.4300 8.2910 115.9927 59.8205 36.8192 176.0291 27 A 4.1693 9.0075 122.9585 55.6441 17.7820 179.8977 28 T 3.9852 8.0106 113.2462 66.8860 68.6244 176.1977 29 Y 4.3040 8.3130 121.1283 60.4045 38.8299 177.8048 30 T 4.1285 7.9852 110.0476 65.3276 69.5547 175.7900 31 G 4.1022 7.8413 110.3242 44.9219 0.0000 172.4377 32 C 4.9720 8.1860 116.9778 55.3216 43.0035 173.0777 33 I 4.5016 8.4637 116.6538 59.5278 39.8094 174.8363 34 I 4.8789 8.4214 126.2049 59.8892 38.1483 174.6284 35 I 4.5272 8.7701 121.4176 58.2369 39.8742 175.4644 36 P 4.2231 0.0000 0.0000 65.2102 31.5501 177.5665 37 G 3.8032 7.8430 106.1353 44.9943 0.0000 173.4572 38 A 4.2129 8.3872 124.6030 53.2937 19.3127 177.4978 39 T 4.1053 7.7654 110.5366 61.6985 67.0760 174.2161 40 C 5.0252 8.4759 126.7991 54.0147 41.5586 172.6470 41 P 4.5375 0.0000 0.0000 62.3597 31.4965 177.5769 42 G 3.7409 8.6686 108.8548 48.5170 0.0000 174.2661 43 D 4.4808 8.2624 118.6961 57.1092 41.2270 176.1533 44 Y 4.6105 8.3430 116.3698 57.0129 39.8502 175.5049 45 A 4.4477 7.7674 122.8972 50.4866 17.6645 177.8212 46 N 4.4776 8.1400 117.3256 53.5588 39.8069 174.7743 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 T 7.98 5.17 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 1.27 0.00 0.00 2 T 8.73 4.59 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 1.15 0.00 0.00 3 C 9.86 4.96 0.00 2.96 3.11 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 0.00 4 C 8.23 4.82 0.00 2.82 2.80 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 5 P 0.00 3.55 0.00 1.94 2.06 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 6 S 7.30 4.75 0.00 3.75 3.60 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 7 I 8.20 3.85 1.85 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 1.60 0.78 0.90 0.00 0.00 8 V 7.87 3.56 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 1.07 0.00 0.00 0.92 0.00 0.00 9 A 7.96 3.99 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 10 R 7.77 3.85 0.00 1.95 2.10 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 11 S 8.49 4.17 0.00 4.03 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 12 N 8.47 4.33 0.00 2.96 3.11 0.00 0.00 6.81 7.48 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 13 F 8.69 4.19 0.00 3.25 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 14 N 8.36 4.30 0.00 2.96 2.89 0.00 0.00 7.40 7.78 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 15 V 8.14 3.70 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 16 C 8.37 4.22 0.00 3.08 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 17 R 7.59 4.22 0.00 1.62 1.72 0.00 2.23 0.00 0.00 2.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.00 18 L 7.30 3.87 0.00 1.78 1.71 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.52 0.00 2.18 2.09 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 20 G 7.92 3.77 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 0.00 0.00 0.00 21 T 7.65 4.06 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 1.13 0.00 0.00 22 P 0.00 4.22 0.00 2.14 2.01 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 23 E 8.86 3.95 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 24 A 8.06 4.11 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 25 L 7.95 3.93 0.00 1.73 1.81 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.29 4.43 0.00 2.78 3.03 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 0.00 0.00 0.00 27 A 9.01 4.17 1.53 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 0.00 0.00 28 T 8.01 3.99 4.45 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 1.27 0.00 0.00 29 Y 8.31 4.30 0.00 2.99 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 30 T 7.99 4.13 4.28 0.00 0.00 0.00 0.00 0.00 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 31 G 7.84 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 0.00 0.00 0.00 0.00 32 C 8.19 4.97 0.00 2.65 2.74 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 33 I 8.46 4.50 1.89 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 1.68 0.85 0.95 0.00 0.00 34 I 8.42 4.88 1.89 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 1.35 0.64 0.93 0.00 0.00 35 I 8.77 4.53 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.91 0.00 0.00 36 P 0.00 4.22 0.00 2.06 2.16 0.00 3.67 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 2.03 2.08 0.00 37 G 7.84 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 38 A 8.39 4.21 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 39 T 7.77 4.11 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 40 C 8.48 5.03 0.00 2.97 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 41 P 0.00 4.54 0.00 2.24 2.20 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 42 G 8.67 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 0.00 0.00 0.00 43 D 8.26 4.48 0.00 2.66 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 44 Y 8.34 4.61 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.77 4.45 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 46 N 8.14 4.48 0.00 2.92 2.54 0.00 0.00 6.62 7.37 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