NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2954 8.4444 120.2251 55.8719 31.2117 175.0303 4 R 3.9532 8.0691 118.3109 55.0337 31.7866 174.3264 5 P 4.1850 0.0000 0.0000 66.1138 31.8701 178.4286 6 L 3.8923 7.8585 116.8427 57.6173 41.4394 179.2424 7 D 4.3135 7.8516 118.5155 57.3579 40.6685 178.6370 8 V 3.5466 7.5861 117.3662 66.2079 31.8914 177.8518 9 I 3.7234 7.7157 119.4581 64.4413 36.8449 177.9126 10 H 4.2070 8.3909 119.6425 59.1509 29.5107 177.1295 11 R 4.0425 8.1575 119.2962 58.3370 30.1574 177.5011 12 S 4.5085 7.6430 113.1522 57.6354 63.3380 173.8656 13 L 4.2285 6.9755 122.2013 56.6170 41.7599 177.3638 14 D 4.6256 9.6433 122.2340 54.4435 39.4521 173.7750 15 K 4.7364 7.9289 118.9395 54.1964 35.8592 174.9776 16 D 5.0260 8.4753 121.4566 54.6276 42.5400 175.3811 17 V 5.0035 8.9530 117.2793 59.7794 37.0352 173.6124 18 L 4.9678 8.9739 124.6189 53.4578 44.3708 175.1590 19 V 4.6749 9.2603 127.2574 61.3952 33.4174 174.3212 20 I 4.4647 8.9720 130.5500 60.6813 38.4442 175.8362 21 L 5.0833 8.5086 126.7251 52.1098 44.5536 176.3542 22 K 4.4408 7.7655 118.6238 56.4826 31.8636 178.3925 23 K 4.3302 8.2447 112.2791 56.2288 34.1922 177.7244 24 G 3.9477 8.3826 107.5135 45.4237 0.0000 173.8680 25 F 4.9707 7.4578 117.6673 56.8241 40.8086 174.6312 26 E 5.1568 8.9547 118.2672 55.5603 33.3854 173.7331 27 F 5.4285 9.2953 119.1880 55.8878 42.8075 174.5281 28 R 5.1211 9.2043 121.3190 54.2199 33.8904 175.3113 29 G 4.0880 7.9521 108.1311 46.4164 0.0000 171.1627 30 R 4.8279 7.8894 120.7479 54.9398 31.4227 175.4422 31 L 4.6707 8.9266 130.1607 55.1418 42.8385 176.7564 32 I 4.6294 8.4143 118.6293 59.9672 38.8231 175.2305 33 G 4.1259 7.7334 109.1954 46.7571 0.0000 171.6175 34 Y 5.6787 7.8947 117.5078 57.4589 40.7876 172.0467 35 D 4.8809 8.3707 118.4348 51.1192 42.7490 176.2080 36 I 3.7965 8.2798 111.8764 63.9578 37.3294 176.5341 37 H 4.5219 8.1109 115.8836 55.9063 28.8729 175.3725 38 L 3.8526 8.1423 118.5587 55.3164 39.4693 173.9408 39 N 4.8847 8.3263 116.7698 53.3562 39.7043 174.8133 40 V 5.0440 8.7599 115.2730 59.5488 36.6144 174.5164 41 V 4.8351 8.7052 121.5669 61.2025 34.3580 174.3591 42 L 5.3712 9.0672 126.9955 52.8814 45.5059 175.1911 43 A 4.9946 8.8275 123.2218 50.4832 22.0617 175.9637 44 D 4.3170 8.4136 119.0775 55.3284 39.2109 173.7507 45 A 4.9432 8.1317 120.5775 51.3284 21.5338 177.7806 46 E 5.2059 9.4737 119.1594 54.8208 33.5913 174.6859 47 M 4.5360 9.7553 125.5510 54.8051 33.7934 174.7746 48 I 5.0181 9.3198 127.7389 59.5467 40.9995 174.4690 49 Q 4.1669 8.6574 126.4560 54.2775 31.8815 174.6708 50 D 4.0224 8.8072 128.1065 55.4822 39.9977 173.7272 51 G 3.9316 8.1537 101.2951 46.0109 0.0000 172.5075 52 E 4.5659 7.8928 119.8180 53.4136 32.5026 175.1584 53 V 4.0135 8.5107 125.7147 63.5964 31.9837 175.3906 54 V 4.4852 8.4990 125.1132 62.8135 33.5750 175.2151 55 K 4.4850 7.6272 116.6179 55.7544 36.2767 174.4287 56 R 5.2348 8.1658 120.4970 54.8361 34.0848 174.4098 57 Y 4.7095 9.2837 118.6456 56.3451 42.2229 176.7526 58 G 3.6889 8.9936 110.1287 49.1016 0.0000 173.3651 59 K 5.2212 7.8520 119.3394 54.9668 35.5220 175.1352 60 I 4.4164 8.7317 125.8976 59.6143 41.9645 173.2953 61 V 4.6172 8.2137 128.7936 61.4172 32.9710 174.5222 62 I 4.3590 8.4492 129.6113 59.3436 39.7414 175.6040 63 R 4.5420 8.5422 126.4615 55.6024 30.8841 177.7629 64 G 3.7639 9.8448 112.6874 48.7141 0.0000 175.0077 65 D 4.2785 8.1844 118.2021 56.8131 40.2409 176.5066 66 N 4.6898 8.0881 114.3093 53.1462 39.2112 174.5881 67 V 4.3177 7.6569 119.6716 62.1553 32.5386 175.1348 68 L 4.3882 9.1107 130.0598 57.3450 42.6960 176.0676 69 A 4.6997 7.5582 117.6686 51.1667 22.8794 174.6623 70 I 5.0921 8.1742 118.8962 59.7105 41.0895 175.1204 71 S 4.6617 9.1179 121.2407 55.6950 65.2490 171.3442 72 P 4.7614 0.0000 0.0000 62.7298 32.0315 176.5019 73 T 4.2512 8.4636 113.4812 61.8303 68.5954 174.5265 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 3 E 8.44 4.30 0.00 1.94 1.99 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 2.21 2.36 0.00 4 R 8.07 3.95 0.00 1.91 1.88 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 5 P 0.00 4.19 0.00 2.16 2.09 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.86 3.89 0.00 1.62 1.69 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.31 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 8 V 7.59 3.55 2.18 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 0.80 0.00 0.00 0.95 0.00 0.00 9 I 7.72 3.72 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.22 0.00 0.00 10 H 8.39 4.21 0.00 3.32 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.16 4.04 0.00 1.98 2.10 0.00 3.30 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 S 7.64 4.51 0.00 4.01 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 13 L 6.98 4.23 0.00 1.61 1.64 0.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.64 4.63 0.00 2.80 2.85 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 15 K 7.93 4.74 0.00 1.87 1.68 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.49 7.81 16 D 8.48 5.03 0.00 2.82 2.54 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 17 V 8.95 5.00 2.10 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 0.89 0.00 0.00 1.00 0.00 0.00 18 L 8.97 4.97 0.00 1.74 1.52 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.26 4.67 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 1.10 0.00 0.00 0.99 0.00 0.00 20 I 8.97 4.46 1.90 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 1.25 0.41 0.93 0.00 0.00 21 L 8.51 5.08 0.00 1.71 1.66 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.77 4.44 0.00 1.96 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.62 7.81 23 K 8.24 4.33 0.00 1.96 2.10 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 24 G 8.38 3.95 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 0.00 0.00 0.00 25 F 7.46 4.97 0.00 3.00 2.78 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 0.00 0.00 0.00 26 E 8.95 5.16 0.00 2.08 2.01 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 2.16 2.27 0.00 27 F 9.30 5.43 0.00 3.05 2.89 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 28 R 9.20 5.12 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 29 G 7.95 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.89 4.83 0.00 1.95 1.83 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 31 L 8.93 4.67 0.00 1.83 1.71 1.08 0.86 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 32 I 8.41 4.63 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.97 0.00 0.00 33 G 7.73 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 0.00 0.00 0.00 0.00 34 Y 7.89 5.68 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.37 4.88 0.00 2.82 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 36 I 8.28 3.80 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.19 0.92 0.00 0.00 37 H 8.11 4.52 0.00 3.31 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.14 3.85 0.00 1.85 1.86 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.33 4.88 0.00 2.99 2.74 0.00 0.00 6.80 7.73 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 40 V 8.76 5.04 2.11 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 0.79 0.00 0.00 0.92 0.00 0.00 41 V 8.71 4.84 2.07 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 1.00 0.00 0.00 0.90 0.00 0.00 42 L 9.07 5.37 0.00 1.50 1.50 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.83 4.99 1.21 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 0.00 0.00 44 D 8.41 4.32 0.00 2.79 2.73 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 45 A 8.13 4.94 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 E 9.47 5.21 0.00 1.94 1.90 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 2.26 2.29 0.00 47 M 9.76 4.54 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.45 0.00 48 I 9.32 5.02 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.93 0.00 0.00 49 Q 8.66 4.17 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.28 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 50 D 8.81 4.02 0.00 2.58 2.53 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 51 G 8.15 3.93 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 0.00 52 E 7.89 4.57 0.00 1.94 1.80 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 2.18 2.20 0.00 53 V 8.51 4.01 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 0.83 0.00 0.00 1.05 0.00 0.00 54 V 8.50 4.49 2.16 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 0.93 0.00 0.00 0.97 0.00 0.00 55 K 7.63 4.49 0.00 1.82 1.34 0.00 1.78 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 56 R 8.17 5.23 0.00 1.54 1.75 0.00 3.14 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 57 Y 9.28 4.71 0.00 2.84 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 58 G 8.99 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 5.22 0.00 1.74 1.63 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 60 I 8.73 4.42 1.54 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.82 0.55 0.00 0.00 61 V 8.21 4.62 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.45 4.36 1.76 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.18 0.91 0.00 0.00 63 R 8.54 4.54 0.00 1.86 1.84 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 64 G 9.84 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.18 4.28 0.00 2.63 2.73 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 66 N 8.09 4.69 0.00 2.86 2.85 0.00 0.00 6.47 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.66 4.32 2.24 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 0.80 0.00 0.00 0.97 0.00 0.00 68 L 9.11 4.39 0.00 1.85 1.68 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.56 4.70 1.22 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 0.00 0.00 70 I 8.17 5.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.95 0.00 0.00 71 S 9.12 4.66 0.00 3.83 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 72 P 0.00 4.76 0.00 1.97 1.96 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 73 T 8.46 4.25 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