NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4172 8.3344 115.3046 57.9492 63.7122 172.9302 8 D 4.7987 8.4149 125.3261 52.4645 42.8060 173.4499 9 F 5.2797 8.1587 115.4280 55.3375 41.9629 173.1671 10 V 4.4784 8.7887 118.6572 61.0419 34.6675 174.0736 11 V 4.8471 8.7667 127.1070 61.3472 33.9583 174.4214 12 I 4.9390 8.9552 128.0977 59.4896 40.8876 173.9841 13 K 5.0164 9.1500 129.2161 54.2874 34.3290 175.0641 14 A 4.4110 8.8618 130.3449 52.1737 19.1892 177.4434 15 L 4.6874 8.9136 122.1237 54.5816 42.5646 175.9988 16 E 4.6773 7.6745 115.5026 54.8773 32.2705 174.4776 17 D 4.3996 8.3471 119.4377 55.6483 41.3610 176.9736 18 G 3.8708 8.5863 109.8405 45.6587 0.0000 173.9262 19 V 3.8517 7.4398 120.4578 63.0730 32.7768 174.5015 20 N 5.3358 9.2042 125.2528 51.4949 41.3127 173.6159 21 V 4.5435 8.6159 124.4338 61.3759 33.5456 174.2543 22 I 4.6804 8.7830 129.8411 59.3652 39.6722 174.9638 23 G 4.1314 8.7233 114.9417 45.1485 0.0000 172.4743 24 L 5.4932 8.7818 125.4292 53.1273 44.0593 176.2786 25 T 4.5993 8.7251 114.0988 61.7142 69.5081 174.2158 26 R 4.2749 7.8370 125.7265 56.5904 29.8190 174.9430 27 G 3.7508 8.8183 110.0491 44.1882 0.0000 173.8443 28 A 4.1876 8.6815 121.6462 54.0684 18.6871 177.6440 29 D 4.8492 7.3388 115.7626 51.9653 40.9923 175.8604 30 T 4.7661 8.3512 119.6472 61.8554 70.6614 173.3938 31 R 4.6039 8.7741 121.9701 54.7914 33.6256 174.0983 32 F 5.2426 8.5275 118.9848 57.9791 38.9933 175.2829 33 H 5.0257 9.1724 118.0959 56.1402 30.6888 173.7174 34 H 4.8883 7.7152 117.6851 54.8102 33.4847 171.9744 35 S 4.7547 8.1295 118.4745 56.4989 64.9259 172.3166 36 E 4.4772 9.1427 129.5576 54.5426 31.1279 174.4534 37 K 4.7060 8.6200 128.8220 55.6866 33.4160 175.4328 38 L 4.9066 9.0427 127.7321 53.2022 44.4599 176.2808 39 D 4.8220 9.4640 124.2992 52.3427 43.4517 175.8777 40 K 4.0248 8.7055 121.6838 58.2774 32.2644 177.0290 41 G 4.0124 9.0749 115.6974 45.1906 0.0000 173.5118 42 E 4.2326 8.1366 119.8338 56.2894 30.7591 176.0103 43 V 4.9228 8.3073 122.2619 60.9914 34.2814 174.2360 44 L 4.7875 9.1042 129.5385 53.2388 44.9742 174.8106 45 I 5.0474 8.4896 126.1785 59.5579 39.4421 174.7071 46 A 4.7015 8.9701 128.9483 50.1602 21.9167 175.4271 47 Q 4.8123 8.6247 121.0474 54.9088 30.4906 175.7175 48 F 4.6575 8.3339 120.1025 57.9844 39.0505 175.2536 49 T 4.6863 9.0031 111.0696 60.3143 71.8244 174.0159 50 E 4.1667 8.9085 121.1834 59.1768 29.7196 177.1277 51 H 4.6293 7.8498 114.5814 55.9453 29.9667 174.0900 52 T 5.1116 8.0883 116.7636 61.9430 71.2480 174.3265 53 S 5.0055 9.0345 119.8154 58.0356 64.7548 173.4017 54 A 5.0163 7.8962 121.2715 51.2009 22.6441 175.1958 55 I 4.9891 8.4835 119.7136 59.3851 41.1169 174.6951 56 K 4.5744 9.0092 127.9097 54.4674 34.9117 174.6149 57 V 4.7734 8.3954 126.6149 61.0632 33.6866 174.2733 58 R 4.4628 8.8004 128.6334 55.4312 32.3632 174.8366 59 G 4.0794 9.0435 111.9377 43.6351 0.0000 172.6731 60 K 4.4717 9.2887 120.9696 56.2998 33.0831 175.6326 61 A 5.1388 8.8585 128.1635 50.8446 23.4754 173.7277 62 Y 4.8534 9.0133 121.5987 56.1272 40.7220 174.5335 63 I 5.0247 8.3303 127.4700 59.5429 40.6834 174.4723 64 Q 5.0691 9.0309 125.5174 54.3707 31.9428 174.8762 65 T 4.6890 8.5223 112.6103 59.5667 72.4751 174.6206 66 R 3.7686 8.5158 120.5570 59.4461 29.9316 176.5345 67 H 4.6402 7.7414 112.8116 55.3078 29.5887 173.8935 68 G 3.8013 7.4360 105.6610 44.0026 0.0000 172.6427 69 V 4.5499 8.0681 119.6965 61.6127 33.2454 176.4546 70 I 4.6602 8.4212 125.7510 59.5202 42.0128 173.1943 71 E 5.1356 8.5799 125.4661 54.5114 32.6206 175.8233 72 S 4.6572 8.6100 118.3030 57.4220 65.5805 174.3939 73 E 4.2705 8.4449 119.3594 56.7082 30.0620 175.9655 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 7 S 8.33 4.42 0.00 3.93 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 8 D 8.41 4.80 0.00 2.96 2.69 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 9 F 8.16 5.28 0.00 3.07 2.91 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 0.00 0.00 0.00 0.00 10 V 8.79 4.48 1.96 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 0.96 0.00 0.00 0.80 0.00 0.00 11 V 8.77 4.85 2.15 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 1.08 0.00 0.00 1.17 0.00 0.00 12 I 8.96 4.94 1.87 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 1.10 0.57 0.92 0.00 0.00 13 K 9.15 5.02 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.86 4.41 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 15 L 8.91 4.69 0.00 1.66 1.72 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.68 0.00 2.03 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 0.00 2.19 2.33 0.00 17 D 8.35 4.40 0.00 2.69 2.64 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 18 G 8.59 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 19 V 7.44 3.85 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 0.86 0.00 0.00 1.03 0.00 0.00 20 N 9.20 5.34 0.00 2.57 2.60 0.00 0.00 6.25 7.52 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 21 V 8.62 4.54 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 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.78 4.68 1.38 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 -0.19 0.00 0.00 23 G 8.72 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 24 L 8.78 5.49 0.00 1.88 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.73 4.60 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 1.39 0.00 0.00 26 R 7.84 4.27 0.00 1.91 1.97 0.00 3.26 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.82 3.75 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 0.00 0.00 0.00 28 A 8.68 4.19 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 29 D 7.34 4.85 0.00 2.95 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 30 T 8.35 4.77 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 1.27 0.00 0.00 31 R 8.77 4.60 0.00 1.81 1.96 0.00 2.78 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 32 F 8.53 5.24 0.00 2.92 2.87 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 33 H 9.17 5.03 0.00 3.13 3.48 0.00 5.76 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 34 H 7.72 4.89 0.00 3.31 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.13 4.75 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.14 4.48 0.00 2.15 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 2.24 2.28 0.00 37 K 8.62 4.71 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.04 4.91 0.00 1.55 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.46 4.82 0.00 2.54 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 40 K 8.71 4.02 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.07 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 0.00 0.00 0.00 42 E 8.14 4.23 0.00 2.06 1.87 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 2.32 2.33 0.00 43 V 8.31 4.92 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.10 4.79 0.00 1.73 1.45 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.05 1.79 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 1.30 0.68 0.82 0.00 0.00 46 A 8.97 4.70 1.12 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 47 Q 8.62 4.81 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.33 4.66 0.00 3.06 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 49 T 9.00 4.69 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 1.30 0.00 0.00 50 E 8.91 4.17 0.00 1.94 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 2.05 2.27 0.00 51 H 7.85 4.63 0.00 3.45 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.09 5.11 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 1.35 0.00 0.00 53 S 9.03 5.01 0.00 3.86 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 54 A 7.90 5.02 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 55 I 8.48 4.99 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.83 0.00 0.00 56 K 9.01 4.57 0.00 1.73 1.39 0.00 1.42 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.33 7.81 57 V 8.40 4.77 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.80 4.46 0.00 1.85 1.70 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.04 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 0.00 0.00 0.00 60 K 9.29 4.47 0.00 1.86 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.86 5.14 1.23 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 0.00 0.00 62 Y 9.01 4.85 0.00 3.02 2.82 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 0.00 0.00 0.00 63 I 8.33 5.02 1.92 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 1.21 0.65 0.90 0.00 0.00 64 Q 9.03 5.07 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 65 T 8.52 4.69 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 1.16 0.00 0.00 66 R 8.52 3.77 0.00 1.61 1.81 0.00 3.20 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 67 H 7.74 4.64 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.44 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 69 V 8.07 4.55 1.94 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 0.09 0.00 0.00 0.84 0.00 0.00 70 I 8.42 4.66 1.81 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 1.19 1.26 0.84 0.00 0.00 71 E 8.58 5.14 0.00 1.84 1.89 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 2.10 2.15 0.00 72 S 8.61 4.66 0.00 3.93 3.97 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 0.00 0.00 0.00 0.00 73 E 8.44 4.27 0.00 1.93 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 2.20 2.26 0.00