NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3119 8.2493 123.5813 51.1756 19.6958 176.4412 7 P 4.3251 0.0000 0.0000 60.8959 32.1944 175.0327 8 D 4.7779 8.7875 122.7724 51.5543 43.5771 178.3549 9 F 3.8279 8.7276 120.7959 62.2111 39.1947 176.8385 10 H 4.5245 8.1842 114.8771 59.0117 28.3388 177.4080 11 D 4.3682 8.5368 120.3658 57.8105 40.7028 178.3393 12 K 3.7790 7.7647 118.5121 58.3572 32.1607 178.2387 13 Y 4.4903 7.7720 117.4085 59.0232 38.3065 178.1902 14 G 4.1171 7.7958 107.4303 48.3309 0.0000 175.5396 15 N 4.3860 8.2237 118.7925 55.4449 38.4837 177.3683 16 A 3.9339 7.8408 121.8111 55.1176 18.6038 179.2361 17 V 3.5625 8.0173 116.9283 66.3385 31.5300 177.5525 18 L 3.9464 8.1277 119.4220 58.4345 41.7762 178.9348 19 A 4.0017 8.0121 120.1847 55.2182 18.4247 179.6536 20 S 4.2169 8.4989 113.3253 61.5702 62.9200 176.8819 21 G 3.6844 8.4961 109.4671 47.5231 0.0000 175.3905 22 A 4.0642 8.1944 123.7943 55.0743 18.3889 179.9208 23 T 3.8130 8.3589 114.4272 66.7720 68.6917 176.4302 24 F 4.2710 8.6359 122.9818 61.8108 39.3304 176.3827 25 C 3.8348 8.3523 117.9493 62.7502 31.3335 175.5224 26 V 3.6358 7.7314 119.0125 66.2198 30.9727 177.8471 27 A 4.0023 7.9877 120.1630 55.2217 18.3564 179.5880 28 V 3.5037 7.5557 116.0966 65.8739 31.4553 178.4933 29 W 3.6701 8.2360 118.5107 59.7097 28.7789 178.6061 30 V 3.7016 8.1002 118.2260 66.2159 30.9104 177.2023 31 Y 4.0829 8.5307 119.6077 61.0266 38.4996 177.4848 32 M 3.8681 8.5478 118.2966 58.8411 32.3630 177.8018 33 A 4.7682 8.4869 119.5715 54.2008 18.7183 178.0909 34 T 4.5560 7.3807 104.7038 62.2875 70.9000 175.5118 35 Q 3.8875 8.3896 120.8467 57.4627 28.8718 176.2138 36 I 4.1324 7.0589 110.4051 59.2981 39.4601 175.0015 37 G 3.8718 8.0602 107.9615 45.5965 0.0000 174.5289 38 I 3.4774 7.4599 120.0914 60.7541 37.7941 176.0207 39 E 4.3770 8.2310 125.0598 54.7668 29.5666 176.0005 40 W 4.2283 8.7571 124.3102 56.9762 30.2258 176.3046 41 N 4.0583 8.0037 115.1196 53.9257 36.7169 170.6689 42 P 4.5710 0.0000 0.0000 61.6139 33.0146 176.7741 43 S 4.1479 8.4716 113.5098 58.0695 62.6142 172.4052 44 P 4.3905 0.0000 0.0000 64.7276 31.7024 176.6051 45 V 3.8101 7.1631 119.6318 63.2987 31.2352 176.2753 46 G 4.0044 9.1488 113.8718 44.9686 0.0000 173.5494 47 R 4.2984 7.8905 118.0689 57.3847 31.3187 176.3183 48 V 4.1432 7.5597 115.9784 61.4880 32.7489 174.7275 49 T 4.4245 8.2081 116.7806 59.1394 69.6041 172.8001 50 P 4.2416 0.0000 0.0000 62.6782 31.8187 175.4625 51 K 4.5829 8.4478 123.7124 53.9316 34.2490 175.3677 52 E 3.9913 8.9146 125.3088 57.1242 29.6945 176.9851 53 W 4.5408 8.5140 119.0151 55.9964 29.5690 176.0957 54 R 3.7792 6.8266 123.0434 56.3221 31.0689 175.1005 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 A 8.25 4.31 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 7 P 0.00 4.33 0.00 2.19 2.03 0.00 3.74 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 1.94 1.97 0.00 8 D 8.79 4.78 0.00 3.02 2.86 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 0.00 0.00 0.00 0.00 9 F 8.73 3.83 0.00 3.17 2.95 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 10 H 8.18 4.52 0.00 3.42 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.54 4.37 0.00 2.71 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 12 K 7.76 3.78 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.36 7.81 13 Y 7.77 4.49 0.00 2.35 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 0.00 0.00 0.00 0.00 15 N 8.22 4.39 0.00 2.75 2.89 0.00 0.00 6.90 8.04 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 16 A 7.84 3.93 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 17 V 8.02 3.56 2.36 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 1.18 0.00 0.00 1.15 0.00 0.00 18 L 8.13 3.95 0.00 1.93 1.87 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.01 4.00 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 20 S 8.50 4.22 0.00 4.06 4.16 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 21 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.81 4.52 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 1.28 0.00 0.00 24 F 8.64 4.27 0.00 3.11 3.41 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 25 C 8.35 3.83 0.00 3.16 3.12 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 0.00 26 V 7.73 3.64 2.23 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 0.98 0.00 0.00 0.97 0.00 0.00 27 A 7.99 4.00 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 28 V 7.56 3.50 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 0.78 0.00 0.00 0.34 0.00 0.00 29 W 8.24 3.67 0.00 3.61 3.34 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 30 V 8.10 3.70 2.37 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.53 4.08 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.55 3.87 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 33 A 8.49 4.77 1.52 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 0.00 0.00 34 T 7.38 4.56 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 1.23 0.00 0.00 35 Q 8.39 3.89 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 36 I 7.06 4.13 1.78 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 1.29 0.43 0.79 0.00 0.00 37 G 8.06 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 0.00 0.00 0.00 38 I 7.46 3.48 1.43 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 -0.37 0.00 0.00 39 E 8.23 4.38 0.00 1.84 1.84 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 2.19 2.22 0.00 40 W 8.76 4.23 0.00 3.23 3.21 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 0.00 0.00 0.00 0.00 41 N 8.00 4.06 0.00 2.74 2.79 0.00 0.00 7.19 8.76 0.00 0.00 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 P 0.00 4.57 0.00 2.24 2.10 0.00 3.92 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 2.01 0.00 43 S 8.47 4.15 0.00 3.86 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 44 P 0.00 4.39 0.00 2.26 2.30 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.16 3.81 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.15 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 0.00 0.00 0.00 47 R 7.89 4.30 0.00 1.78 1.94 0.00 3.27 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 V 7.56 4.14 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 0.91 0.00 0.00 0.94 0.00 0.00 49 T 8.21 4.42 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 1.22 0.00 0.00 50 P 0.00 4.24 0.00 2.10 2.10 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.45 4.58 0.00 1.71 1.72 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.91 3.99 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 53 W 8.51 4.54 0.00 3.61 3.23 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 54 R 6.83 3.78 0.00 1.80 2.00 0.00 3.22 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.00