NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3019 8.4449 118.7954 56.0299 32.0041 176.7099 4 R 4.0059 8.0443 119.0164 54.3332 32.0141 174.8358 5 P 4.2098 0.0000 0.0000 66.2923 31.7235 178.7822 6 L 3.9436 7.8367 116.5893 57.4446 41.4709 179.2288 7 D 4.2958 7.8462 118.7970 57.2361 40.6481 178.5964 8 V 3.5306 7.5261 117.4496 66.0670 31.8187 177.8084 9 I 3.6727 7.5333 119.4662 64.4760 36.9879 177.7884 10 H 4.0201 8.0362 119.1362 59.4190 29.5367 177.3192 11 R 4.1063 8.0193 117.5662 58.0744 30.1680 177.9604 12 S 4.5352 7.8035 114.5413 57.1746 63.2878 173.8364 13 L 4.3501 7.1012 122.5054 56.4597 41.7931 176.9982 14 D 4.5166 9.6445 121.9980 54.7060 39.2237 173.5321 15 K 4.7835 7.7540 118.4175 54.3403 36.0794 175.2691 16 D 5.1163 8.4807 121.2066 54.6932 42.3880 175.9608 17 V 4.9848 8.9309 114.0978 59.9272 37.0475 173.5135 18 L 5.0368 9.0464 124.9069 53.4163 44.4067 175.1722 19 V 4.6965 9.1701 127.0234 61.3764 33.6127 174.1539 20 I 4.5453 8.8559 130.5031 60.3844 38.6641 176.0016 21 L 4.9225 8.9727 127.3965 52.9154 44.1003 177.5350 22 K 4.5901 8.1622 117.8813 56.0286 31.6453 178.1354 23 K 4.5692 8.4507 119.0130 56.7123 32.3546 176.5789 24 G 4.1479 8.4469 103.4145 46.1332 0.0000 172.3587 25 F 5.4498 8.0447 120.7160 56.0254 41.9491 173.9649 26 E 5.0160 8.6747 122.4960 54.8310 33.5990 173.9328 27 F 5.3361 9.1483 119.1503 55.7965 42.7965 174.4214 28 R 4.9804 9.0091 121.5456 54.4022 33.7604 174.6415 29 G 4.2484 8.1520 111.2596 46.3633 0.0000 170.9827 30 R 4.7647 7.9384 120.8276 55.3146 31.3140 175.5678 31 L 4.7170 8.9649 130.2226 55.0280 42.7921 176.7038 32 I 4.4769 8.3379 118.7129 60.1101 38.9003 175.2408 33 G 4.1471 7.8117 108.6902 46.6951 0.0000 171.6954 34 Y 5.2948 7.7540 117.9467 56.6817 40.9345 172.1220 35 D 4.7090 8.6661 118.2398 51.4136 42.6838 175.9893 36 I 3.6837 8.3039 118.5346 64.0834 37.7764 175.8414 37 H 4.5727 8.1569 115.1995 55.6570 28.7261 175.3915 38 L 3.8212 8.1371 118.5185 55.5223 39.3322 174.0641 39 N 4.8911 8.1950 115.9488 53.3355 39.8816 174.6264 40 V 4.9207 8.5918 114.8975 59.5691 36.7436 174.5049 41 V 4.7067 8.8561 122.1268 61.2337 34.0825 174.3727 42 L 5.3183 8.9614 127.4888 52.9301 45.0842 175.2374 43 A 5.0228 9.0148 123.2590 50.4694 22.0239 175.9507 44 D 4.6239 8.4047 118.8999 55.2842 39.0974 173.4689 45 A 4.9754 8.3412 121.5048 51.1666 21.9341 177.6743 46 E 5.1860 9.2061 118.3992 54.8353 33.9491 174.6663 47 M 4.2751 9.2706 125.0317 54.6100 33.8709 174.5957 48 I 4.9130 8.7298 127.8027 59.4980 40.3141 174.3995 49 Q 4.7755 8.8668 127.8530 54.9476 32.0746 174.8597 50 D 4.4894 9.3828 123.0129 55.2738 39.1712 174.8886 51 G 3.9383 8.6561 105.4730 45.1143 0.0000 173.4550 52 E 4.5136 8.2806 121.4549 53.6196 31.6079 175.0183 53 V 4.0214 8.4300 125.7995 63.5672 31.5111 175.3532 54 V 4.3120 8.7808 121.4539 62.0612 33.2921 176.4862 55 K 4.6329 7.7700 117.8176 54.7740 36.8307 175.4140 56 R 5.0514 7.9482 119.9975 54.6990 33.8074 174.4766 57 Y 4.7005 9.2313 120.3374 56.1304 41.7307 176.6408 58 G 3.7228 9.0568 111.2120 49.0417 0.0000 173.2087 59 K 5.2326 7.8614 119.4476 54.8080 35.5478 175.1945 60 I 4.4528 8.6963 125.8752 59.5187 41.9600 173.3922 61 V 4.5871 8.2299 128.6722 61.4056 32.9712 174.5006 62 I 4.3288 8.3206 129.4376 59.4676 39.7334 175.5514 63 R 4.6376 8.4945 125.8923 55.4017 31.0312 177.8522 64 G 3.7330 9.6347 112.3958 48.6569 0.0000 175.0570 65 D 4.3359 8.1972 118.2312 56.6488 41.2625 176.4237 66 N 4.8293 8.1327 114.3617 52.7699 39.0524 174.1187 67 V 4.2476 7.8085 119.8111 62.0379 32.6032 175.3582 68 L 4.3752 9.0413 130.0057 57.4376 42.7200 176.0613 69 A 4.6475 7.5246 117.5269 51.2857 22.8323 174.8410 70 I 5.0726 8.1754 118.9730 59.7701 41.0996 175.0768 71 S 4.7435 9.1938 121.9114 55.5006 65.3048 171.1594 72 P 4.6637 0.0000 0.0000 63.1028 31.9865 176.4441 73 T 4.2348 8.5072 120.0578 63.7170 68.1233 174.6852 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 2.08 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 0.00 2.17 2.33 0.00 4 R 8.04 4.01 0.00 1.86 1.87 0.00 3.14 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 5 P 0.00 4.21 0.00 2.12 2.10 0.00 3.58 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 2.19 0.00 6 L 7.84 3.94 0.00 1.67 1.70 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.30 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.53 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 0.79 0.00 0.00 0.96 0.00 0.00 9 I 7.53 3.67 1.42 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.29 0.00 0.00 10 H 8.04 4.02 0.00 3.31 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.02 4.11 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 12 S 7.80 4.54 0.00 3.94 3.84 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 13 L 7.10 4.35 0.00 1.65 1.63 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.64 4.52 0.00 2.74 2.80 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 15 K 7.75 4.78 0.00 1.84 1.66 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.56 7.81 16 D 8.48 5.12 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.98 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 18 L 9.05 5.04 0.00 1.70 1.66 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.17 4.70 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 1.05 0.00 0.00 0.94 0.00 0.00 20 I 8.86 4.55 1.89 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 1.24 0.43 0.94 0.00 0.00 21 L 8.97 4.92 0.00 1.87 1.76 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.16 4.59 0.00 1.63 1.86 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.72 7.81 23 K 8.45 4.57 0.00 1.73 1.68 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 24 G 8.45 4.15 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 0.00 0.00 0.00 25 F 8.04 5.45 0.00 3.07 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 26 E 8.67 5.02 0.00 2.08 1.92 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 2.24 2.18 0.00 27 F 9.15 5.34 0.00 2.92 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 28 R 9.01 4.98 0.00 1.87 1.73 0.00 3.19 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 29 G 8.15 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 0.00 0.00 0.00 0.00 30 R 7.94 4.76 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.96 4.72 0.00 1.81 1.73 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.34 4.48 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 1.25 0.85 0.97 0.00 0.00 33 G 7.81 4.15 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 0.00 0.00 0.00 34 Y 7.75 5.29 0.00 3.02 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 35 D 8.67 4.71 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.30 3.68 1.84 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 1.38 0.64 0.68 0.00 0.00 37 H 8.16 4.57 0.00 3.32 3.33 0.00 5.79 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 38 L 8.14 3.82 0.00 1.85 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.20 4.89 0.00 2.94 2.73 0.00 0.00 6.78 7.68 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 40 V 8.59 4.92 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 0.78 0.00 0.00 0.88 0.00 0.00 41 V 8.86 4.71 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.96 5.32 0.00 1.49 1.49 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.01 5.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.62 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.98 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 46 E 9.21 5.19 0.00 1.91 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 2.24 2.27 0.00 47 M 9.27 4.28 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.05 0.00 48 I 8.73 4.91 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.79 0.95 0.00 0.00 49 Q 8.87 4.78 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.19 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 50 D 9.38 4.49 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 51 G 8.66 3.94 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 0.00 0.00 0.00 52 E 8.28 4.51 0.00 1.92 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 0.00 2.19 2.20 0.00 53 V 8.43 4.02 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 0.84 0.00 0.00 0.93 0.00 0.00 54 V 8.78 4.31 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 0.79 0.00 0.00 1.06 0.00 0.00 55 K 7.77 4.63 0.00 1.63 1.13 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 56 R 7.95 5.05 0.00 1.50 1.71 0.00 3.10 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 57 Y 9.23 4.70 0.00 2.87 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 58 G 9.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.86 5.23 0.00 1.71 1.63 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.47 7.81 60 I 8.70 4.45 1.52 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.96 0.56 0.00 0.00 61 V 8.23 4.59 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 8.32 4.33 1.70 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.03 0.83 0.00 0.00 63 R 8.49 4.64 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 64 G 9.63 3.73 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 0.00 0.00 0.00 65 D 8.20 4.34 0.00 2.65 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 66 N 8.13 4.83 0.00 2.89 2.87 0.00 0.00 6.44 6.96 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 67 V 7.81 4.25 2.21 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 0.84 0.00 0.00 1.02 0.00 0.00 68 L 9.04 4.38 0.00 1.66 1.86 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.52 4.65 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 8.18 5.07 1.85 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 1.23 0.71 0.93 0.00 0.00 71 S 9.19 4.74 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 4.66 0.00 2.10 2.02 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 T 8.51 4.23 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