NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2635 8.1133 117.2711 56.0962 30.2596 176.9820 11 T 3.5997 8.3682 111.7105 64.8319 68.4128 174.1729 12 G 3.8508 7.5822 107.8864 47.6687 0.0000 175.4896 13 R 4.0633 7.7209 116.7480 58.8530 29.7008 177.9064 14 F 5.0423 8.3082 117.3160 57.9861 39.1037 176.3965 15 G 3.7724 8.1092 108.3791 46.7213 0.0000 172.5897 16 P 4.7396 0.0000 0.0000 62.6276 31.8210 175.9867 17 R 4.0598 7.5761 118.1620 56.7326 31.3883 177.4458 18 Y 3.8183 8.2935 115.8731 57.6358 36.7592 171.2329 19 G 4.0564 7.7006 104.0013 44.7682 0.0000 172.9202 20 L 3.9101 7.9715 116.4720 57.3040 42.0692 180.1234 21 K 3.9921 8.1720 118.6005 60.4635 32.5476 178.0661 22 I 3.6458 8.0024 119.0090 65.3253 37.0835 178.4419 23 R 4.2708 8.1499 117.9419 58.6365 29.4263 179.0257 24 V 3.6091 8.2533 119.6413 66.1137 31.4730 178.2977 25 R 3.9935 8.2165 117.5617 58.8431 29.7165 179.3088 26 V 3.5293 7.5455 118.5235 65.6661 31.4669 177.9495 27 A 3.9300 8.1383 120.4962 55.3064 18.4329 178.9371 28 D 4.4086 8.3481 117.7708 57.8125 40.8881 179.4587 29 V 3.5738 7.9874 118.4007 66.2853 31.5069 178.0267 30 E 4.0989 8.5636 118.3644 58.8501 29.0024 179.2805 31 I 3.7003 8.2348 119.0338 64.0387 38.4664 177.6837 32 K 4.1483 7.9749 119.0070 59.7015 31.6752 178.4336 33 H 5.2189 8.2400 118.9988 58.6709 29.8081 176.3534 34 K 4.5116 7.8873 116.2541 55.2839 32.3381 176.8586 35 K 4.1932 7.3719 119.5887 55.8501 32.6585 176.6372 36 K 4.1768 8.2330 120.0609 56.6120 32.7767 176.4400 37 H 5.0076 8.4703 119.8394 53.6977 32.3455 173.2336 38 K 4.5381 8.6343 122.1068 55.8430 32.3710 176.4880 39 C 4.0956 8.9903 127.0663 59.6228 31.4698 172.1860 40 P 4.3365 0.0000 0.0000 65.7406 30.6829 177.6447 41 V 3.3395 6.9545 116.7093 65.5090 32.3176 178.6911 42 C 4.5749 7.5290 122.4432 58.0476 31.0413 174.2211 43 G 4.1707 8.6639 109.0900 45.2401 0.0000 172.3648 44 F 3.9661 8.1596 119.2000 56.6428 40.1688 175.7583 45 K 4.4342 7.9258 123.1371 54.7903 29.6829 177.1615 46 K 4.8452 7.5068 121.4901 55.8375 33.3171 177.0759 47 L 5.3393 8.0235 119.1129 53.2210 43.9766 177.8252 48 K 4.9284 9.4113 122.6113 54.2422 36.6688 176.0416 49 R 3.3517 8.8673 124.2637 56.3927 30.3015 176.0845 50 A 4.2015 8.5820 128.8845 52.8750 19.8641 176.6757 51 G 3.6392 6.9483 101.9546 45.6830 0.0000 171.0435 52 T 3.6469 8.3930 116.7591 65.1193 68.0655 174.7513 53 G 4.4143 8.5120 114.7125 46.2026 0.0000 171.1543 54 I 4.8754 7.3319 121.6479 59.2485 39.4637 174.9001 55 W 5.4093 8.9868 125.7513 55.3741 33.4337 173.9955 56 M 5.3050 8.9387 120.3466 54.7107 36.1393 173.0195 57 C 5.7513 8.6098 125.0037 57.2251 32.4725 174.8863 58 G 3.8142 9.0247 116.2453 48.5113 0.0000 172.9245 59 H 4.3055 7.6552 120.3300 57.8001 30.3588 175.1192 60 C 4.1987 7.9666 117.0269 58.1779 30.5947 175.0141 61 G 3.9631 8.6962 109.2524 45.0164 0.0000 173.1351 62 Y 4.3614 7.8788 120.9135 58.4204 39.8139 174.9545 63 K 4.8628 8.3046 127.1348 54.7783 34.2223 174.9982 64 I 4.2475 8.6676 121.5203 59.1835 40.9367 174.1507 65 A 5.0876 8.4764 124.1955 50.6030 20.3226 175.9145 66 G 4.6133 8.3879 111.6778 44.4963 0.0000 171.5021 67 G 4.0990 8.1421 109.6629 45.7020 0.0000 173.6731 68 C 4.0355 8.6557 115.6220 61.9135 28.5072 174.3656 69 Y 5.0437 7.8966 113.4104 57.6232 39.2513 174.8815 70 Q 4.7920 8.0830 118.9898 53.2507 33.0499 174.3313 71 P 2.9700 0.0000 0.0000 64.1169 31.6225 176.1038 72 E 4.8377 7.5863 117.2136 54.2020 32.3275 175.0474 73 T 4.6343 8.0337 112.4374 59.4187 71.1272 175.1755 74 V 3.5600 8.5738 122.5879 66.7089 31.0617 178.2593 75 A 4.1916 7.4810 119.6886 54.6370 18.1464 179.5215 76 G 3.6741 8.5873 104.9756 47.7798 0.0000 176.2408 77 K 4.0094 7.9780 120.1225 59.2109 31.7582 179.0831 78 A 4.1324 7.7543 120.3787 54.7155 17.9036 179.9088 79 V 3.5174 7.1690 115.8995 66.4558 31.7745 176.8670 80 M 4.0528 7.3468 115.7561 58.5164 31.3833 177.9004 81 K 3.8612 7.4365 116.2360 57.6569 32.7582 176.7749 82 A 4.1681 7.6181 128.4161 53.0912 18.1910 177.5408 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 10 R 8.11 4.26 0.00 1.97 2.00 0.00 2.93 0.00 0.00 3.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 T 8.37 3.60 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 1.32 0.00 0.00 12 G 7.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.06 0.00 1.94 1.99 0.00 2.90 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 0.00 14 F 8.31 5.04 0.00 3.39 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 15 G 8.11 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 16 P 0.00 4.74 0.00 2.14 2.11 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 17 R 7.58 4.06 0.00 0.84 0.66 0.00 2.84 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 18 Y 8.29 3.82 0.00 3.05 2.93 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 19 G 7.70 4.06 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 0.00 0.00 0.00 20 L 7.97 3.91 0.00 1.73 1.59 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.17 3.99 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 22 I 8.00 3.65 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.71 0.81 0.00 0.00 23 R 8.15 4.27 0.00 2.28 2.61 0.00 3.26 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.60 0.00 24 V 8.25 3.61 2.19 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 1.11 0.00 0.00 0.96 0.00 0.00 25 R 8.22 3.99 0.00 2.03 1.93 0.00 3.16 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 V 7.55 3.53 2.39 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 1.11 0.00 0.00 1.17 0.00 0.00 27 A 8.14 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 28 D 8.35 4.41 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.57 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.82 0.00 0.00 30 E 8.56 4.10 0.00 2.08 2.03 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 2.31 2.48 0.00 31 I 8.23 3.70 1.99 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 1.54 0.76 1.00 0.00 0.00 32 K 7.97 4.15 0.00 2.09 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 H 8.24 5.22 0.00 3.45 3.64 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.89 4.51 0.00 1.80 1.85 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.68 7.81 35 K 7.37 4.19 0.00 1.81 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.69 7.81 36 K 8.23 4.18 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.47 5.01 0.00 3.03 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.54 0.00 1.63 1.76 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.41 7.81 39 C 8.99 4.10 0.00 3.07 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 40 P 0.00 4.34 0.00 2.29 2.17 0.00 4.01 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 2.18 2.11 0.00 41 V 6.95 3.34 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.43 0.00 0.00 42 C 7.53 4.57 0.00 3.18 2.92 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 43 G 8.66 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 44 F 8.16 3.97 0.00 2.99 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 45 K 7.93 4.43 0.00 1.55 1.74 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.31 7.81 46 K 7.51 4.85 0.00 1.80 1.82 0.00 1.89 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.71 7.81 47 L 8.02 5.34 0.00 1.72 1.76 0.97 1.33 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 48 K 9.41 4.93 0.00 1.69 1.69 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 R 8.87 3.35 0.00 0.88 1.42 0.00 2.99 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 50 A 8.58 4.20 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 51 G 6.95 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.65 4.13 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 1.06 0.00 0.00 53 G 8.51 4.41 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 0.00 0.00 0.00 54 I 7.33 4.88 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.82 0.00 0.00 55 W 8.99 5.41 0.00 3.21 3.07 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 56 M 8.94 5.31 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 57 C 8.61 5.75 0.00 3.20 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 58 G 9.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.66 4.31 0.00 3.09 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.97 4.20 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.70 3.96 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 0.00 0.00 0.00 62 Y 7.88 4.36 0.00 3.01 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 63 K 8.30 4.86 0.00 1.69 1.54 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.35 7.81 64 I 8.67 4.25 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.97 0.89 0.00 0.00 65 A 8.48 5.09 1.24 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 0.00 0.00 66 G 8.39 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.14 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 68 C 8.66 4.04 0.00 2.46 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.90 5.04 0.00 3.14 2.92 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 70 Q 8.08 4.79 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 71 P 0.00 2.97 0.00 1.56 0.67 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 72 E 7.59 4.84 0.00 1.82 1.79 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 2.09 2.09 0.00 73 T 8.03 4.63 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 1.23 0.00 0.00 74 V 8.57 3.56 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 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.48 4.19 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 76 G 8.59 3.67 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 0.00 0.00 0.00 77 K 7.98 4.01 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.67 7.81 78 A 7.75 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.17 3.52 2.27 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 0.87 0.00 0.00 1.00 0.00 0.00 80 M 7.35 4.05 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 81 K 7.44 3.86 0.00 1.87 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 82 A 7.62 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00