NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3686 8.1885 115.2901 57.7966 63.8102 174.4617 6 A 3.8728 8.6036 129.2724 55.0403 18.0310 178.5251 7 T 3.7818 7.9951 114.1612 66.7730 69.0778 174.3825 8 E 4.0693 8.1577 120.5363 59.7732 29.6341 178.6017 9 T 3.8178 7.8498 115.0808 66.6457 68.5443 176.1891 10 A 3.9761 8.0456 122.3378 55.6171 18.4333 179.4706 11 T 3.7842 8.0500 114.1926 67.0173 68.5602 176.3189 12 R 3.9068 8.5484 120.5178 59.8291 29.9736 178.0918 13 D 4.3257 8.2680 118.2797 57.3839 40.8328 178.4693 14 Q 3.9403 8.2054 119.9782 59.4126 29.0261 178.4665 15 L 4.0768 8.4511 120.2341 57.9236 41.7004 179.7507 16 T 3.9395 8.1729 115.8120 66.4945 68.2584 176.3399 17 K 3.8385 8.2108 120.4316 59.7880 32.4934 178.0552 18 E 4.9941 8.8673 120.0056 59.1168 29.3209 179.4089 19 A 4.0856 8.3900 120.6086 55.0247 18.1366 179.5480 20 F 3.9985 8.1809 115.3036 60.2274 39.2922 177.4108 21 Q 4.4662 8.3612 117.2716 56.5456 28.6485 174.9233 22 N 5.0106 7.7183 119.9314 50.7798 38.5941 173.1166 23 P 4.4121 0.0000 0.0000 64.3353 31.2913 176.9843 24 D 4.5087 7.8252 118.2038 56.0920 41.4669 176.5880 25 N 4.6776 8.2970 116.4357 52.8723 38.5826 173.3741 26 Q 4.6076 7.4998 119.9843 53.9255 30.6962 175.5755 27 K 4.3741 9.0521 126.6480 56.5281 33.4680 176.2242 28 V 4.6303 8.1798 121.1695 59.7329 34.9615 175.1242 29 N 5.0751 8.5836 116.5838 50.9591 37.5496 174.7733 30 I 3.6873 7.8240 118.7844 62.0042 38.2008 176.2218 31 D 4.8397 8.5685 127.3915 52.0818 41.9205 176.3945 32 E 3.9681 8.8078 115.8490 60.0516 29.5707 178.1812 33 L 4.0289 7.8543 117.4503 55.3786 41.8347 177.6252 34 G 3.9829 7.7802 105.7160 44.8734 0.0000 173.6895 35 N 4.4611 8.9276 118.4100 52.9276 38.8974 174.2818 36 A 4.8204 8.4746 127.4987 51.2578 17.2046 175.1101 37 I 4.1645 7.8999 114.6647 59.1478 39.7240 173.9981 38 P 4.5760 0.0000 0.0000 63.9592 30.6011 176.3323 39 S 4.2199 8.5985 119.3109 59.2052 63.8136 175.5045 40 G 4.1913 8.9649 107.2643 44.6783 0.0000 172.7556 41 V 4.5903 7.5389 118.4357 60.8328 34.5696 174.9901 42 L 4.5548 8.4232 126.5863 53.5607 43.2603 176.7098 43 K 3.9180 8.6290 121.3341 56.9483 32.4781 177.9521 44 D 4.3665 9.0684 125.1717 57.8179 40.7741 179.0951 45 D 4.3418 8.1016 118.5944 57.5306 40.7767 178.7992 46 V 3.5033 7.9499 118.5094 65.8079 31.4928 177.8055 47 V 3.7624 7.8185 117.2142 66.2124 31.0157 177.7213 48 A 3.9576 8.2199 120.2041 55.3181 18.1514 179.1404 49 N 4.2673 8.5788 115.9584 56.7229 38.9961 177.1819 50 I 3.8407 8.6940 122.4442 64.4293 37.3276 177.6410 51 E 3.9213 8.3550 120.4061 59.6701 29.2066 179.0316 52 E 3.9203 7.9187 117.8063 59.5174 29.5864 179.0532 53 Q 3.9687 7.7915 117.8838 59.1124 28.9158 178.9374 54 A 4.0059 8.4249 121.8015 55.4871 18.3423 179.9382 55 K 3.9695 7.9972 116.3433 59.4301 31.9762 179.5556 56 A 3.9775 8.3358 121.3435 54.9437 18.3974 179.5214 57 A 4.0298 8.2934 119.6311 55.0805 18.3422 180.0825 58 G 3.5429 7.9170 104.0039 48.1585 0.0000 175.7994 59 E 3.9620 8.3303 121.9527 58.9087 29.4610 179.1168 60 E 3.5320 8.5830 119.3472 58.9048 29.4753 178.9334 61 A 3.9491 7.7763 120.5971 54.8776 18.6838 179.3777 62 K 3.8365 8.2064 118.3573 59.9467 32.3468 178.9881 63 Q 4.0172 8.8378 119.1310 58.8364 28.3242 178.6638 64 Q 3.9107 7.6612 119.2915 59.1403 29.2256 177.7923 65 A 4.1356 7.9995 120.7187 55.2984 18.4888 179.3108 66 I 3.7915 7.6849 117.3000 64.0381 38.3455 177.8239 67 E 4.3830 7.8701 119.9454 54.4027 26.3325 176.6268 68 N 4.2072 7.5376 119.8233 54.1519 39.6775 175.2834 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 5 S 8.19 4.37 0.00 3.87 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 6 A 8.60 3.87 1.35 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 0.00 0.00 0.00 0.00 0.00 7 T 8.00 3.78 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 1.23 0.00 0.00 8 E 8.16 4.07 0.00 2.03 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 0.00 2.38 2.42 0.00 9 T 7.85 3.82 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 10 A 8.05 3.98 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 11 T 8.05 3.78 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 12 R 8.55 3.91 0.00 1.87 2.15 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 13 D 8.27 4.33 0.00 2.93 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 14 Q 8.21 3.94 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 15 L 8.45 4.08 0.00 1.70 1.72 0.93 0.78 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 16 T 8.17 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 17 K 8.21 3.84 0.00 1.75 2.03 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 18 E 8.87 4.99 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 19 A 8.39 4.09 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 20 F 8.18 4.00 0.00 3.19 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 21 Q 8.36 4.47 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 22 N 7.72 5.01 0.00 2.70 2.83 0.00 0.00 6.77 7.60 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 23 P 0.00 4.41 0.00 2.21 2.18 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 24 D 7.83 4.51 0.00 2.66 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 25 N 8.30 4.68 0.00 2.73 2.69 0.00 0.00 6.30 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 26 Q 7.50 4.61 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 7.00 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 27 K 9.05 4.37 0.00 1.83 1.69 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.42 7.81 28 V 8.18 4.63 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 0.76 0.00 0.00 1.00 0.00 0.00 29 N 8.58 5.08 0.00 2.72 2.77 0.00 0.00 6.99 7.40 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 30 I 7.82 3.69 1.87 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 1.47 0.46 nan 0.00 0.00 31 D 8.57 4.84 0.00 2.89 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 32 E 8.81 3.97 0.00 2.10 2.13 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 2.28 2.28 0.00 33 L 7.85 4.03 0.00 1.80 1.77 0.92 0.96 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 34 G 7.78 3.98 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 0.00 0.00 0.00 35 N 8.93 4.46 0.00 3.14 2.81 0.00 0.00 6.86 6.99 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 36 A 8.47 4.82 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 37 I 7.90 4.16 1.88 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 1.60 1.03 0.92 0.00 0.00 38 P 0.00 4.58 0.00 2.15 2.18 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 39 S 8.60 4.22 0.00 3.86 4.04 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 0.00 0.00 0.00 0.00 40 G 8.96 4.19 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 0.00 0.00 0.00 41 V 7.54 4.59 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 0.95 0.00 0.00 0.97 0.00 0.00 42 L 8.42 4.55 0.00 1.48 1.41 0.96 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.63 3.92 0.00 1.65 1.70 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 44 D 9.07 4.37 0.00 2.67 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 45 D 8.10 4.34 0.00 2.66 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 46 V 7.95 3.50 2.12 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 0.97 0.00 0.00 0.88 0.00 0.00 47 V 7.82 3.76 2.22 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 1.09 0.00 0.00 0.93 0.00 0.00 48 A 8.22 3.96 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 49 N 8.58 4.27 0.00 2.81 2.92 0.00 0.00 7.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.69 3.84 2.03 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 1.42 0.51 0.93 0.00 0.00 51 E 8.36 3.92 0.00 2.26 2.14 0.00 0.00 0.00 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 2.44 0.00 52 E 7.92 3.92 0.00 2.17 1.98 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 2.52 2.49 0.00 53 Q 7.79 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 54 A 8.42 4.01 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 55 K 8.00 3.97 0.00 2.02 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.70 7.81 56 A 8.34 3.98 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 57 A 8.29 4.03 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 58 G 7.92 3.54 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 0.00 0.00 0.00 59 E 8.33 3.96 0.00 1.99 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 2.54 2.46 0.00 60 E 8.58 3.53 0.00 2.24 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 0.00 2.31 2.48 0.00 61 A 7.78 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.84 0.00 1.82 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 63 Q 8.84 4.02 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 Q 7.66 3.91 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 65 A 8.00 4.14 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 66 I 7.68 3.79 2.03 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 1.52 0.79 0.91 0.00 0.00 67 E 7.87 4.38 0.00 2.12 1.93 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 2.34 2.45 0.00 68 N 7.54 4.21 0.00 2.86 2.64 0.00 0.00 7.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00