NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9187 8.3393 109.7331 44.9594 0.0000 174.8419 2 E 4.1629 8.8231 114.8955 53.8672 31.9293 175.9599 3 Q 4.2210 9.2015 123.5222 55.4921 28.8119 176.2463 4 V 4.7333 7.8479 116.7518 59.3053 34.9834 175.2973 5 F 4.7515 8.8848 120.2113 55.2470 42.9385 174.5108 6 A 4.3274 8.7980 123.5965 52.4407 18.6020 177.4188 7 V 3.6453 8.3257 114.8817 61.9190 32.6169 175.1513 8 E 4.1210 9.0910 124.3212 57.3530 29.0853 178.8186 9 S 4.4983 7.2540 113.6479 57.8607 68.2487 173.0828 10 I 3.9629 8.0895 121.3746 61.9633 37.0246 176.5451 11 R 4.1977 8.5632 126.8341 58.0719 30.6306 176.9279 12 K 4.8291 7.3841 116.4757 54.4066 36.8371 174.8941 13 K 4.9757 8.5587 122.6982 54.9822 35.4553 175.1510 14 R 4.5045 8.3442 121.9098 55.8384 33.5350 173.5550 15 V 4.4957 8.2165 118.6264 60.8926 33.3963 174.3671 16 R 4.2436 8.6027 128.0552 54.9904 30.9941 175.0300 17 K 3.6856 9.6606 126.7642 57.4555 30.4831 175.9180 18 G 3.8837 8.8005 102.8512 44.5503 0.0000 173.9154 19 K 4.3301 7.8516 119.2964 53.9221 34.1448 175.7101 20 V 4.1168 8.4014 125.3955 62.9917 32.2896 174.4311 21 E 5.1573 8.8242 126.7941 54.8514 32.8182 174.5649 22 Y 5.0001 8.7608 118.3026 56.2291 41.7952 175.3285 23 L 4.0370 8.3987 127.5014 54.1272 40.3890 173.8396 24 V 3.5390 8.2721 122.3549 61.8656 32.7532 174.5544 25 K 4.5895 8.2654 131.1489 55.3680 33.4045 175.6119 26 W 4.7520 8.6709 128.2067 55.5445 29.8775 177.5543 27 K 4.0467 8.7384 126.1945 59.3568 31.8451 178.2182 28 G 3.7907 8.3971 105.4966 46.5512 0.0000 173.0589 29 W 4.6392 7.8037 119.7470 53.7500 31.5624 174.2056 30 P 4.6138 0.0000 0.0000 61.8524 31.1372 175.6448 31 P 4.4348 0.0000 0.0000 65.0197 31.3962 178.6576 32 K 4.0349 8.1407 118.0178 59.7652 32.7857 177.1604 33 Y 4.2978 8.1158 115.1410 57.9003 38.2083 175.3411 34 S 4.9140 7.8069 117.8198 58.7349 64.1617 173.5632 35 T 4.8835 8.6708 112.7341 59.7366 72.5955 173.3117 36 W 5.1699 8.8020 122.0666 55.6587 29.2238 174.9260 37 E 4.7076 9.0135 125.2709 53.8681 30.8575 174.8897 38 P 5.1090 0.0000 0.0000 61.8959 32.6098 176.8624 39 E 3.9863 9.1694 116.5229 59.3112 29.4287 179.0600 40 E 4.0853 7.7411 120.2686 58.9626 29.7216 177.1472 41 H 4.6502 8.2121 114.0807 56.4102 29.7473 175.2262 42 I 3.8115 7.1221 119.3878 61.1934 36.8879 175.8648 43 L 4.1205 8.5875 126.1319 57.1450 42.3908 176.8660 44 D 4.7409 7.6949 118.2144 52.2334 42.5562 175.2076 45 P 4.3120 0.0000 0.0000 66.0888 31.5430 178.8667 46 R 4.0153 7.9908 117.1021 57.8328 29.3467 178.6057 47 L 3.8462 7.4916 120.1396 58.1728 41.9974 178.9852 48 V 3.7799 7.5151 117.2888 65.8940 31.7305 177.7276 49 M 4.1342 8.2692 118.2878 58.0323 31.6696 178.6393 50 A 4.2220 8.0711 122.5021 54.8873 18.3929 178.9570 51 Y 4.1542 7.3296 113.4791 60.4335 38.9535 177.3343 52 E 4.1358 7.8710 116.0819 55.3427 30.2916 176.3900 53 E 3.8107 7.6837 117.7007 57.2177 27.4281 175.4258 54 K 4.3509 7.9674 116.6405 56.4610 32.0892 177.9024 55 E 4.0643 8.0050 119.1785 58.7883 30.0192 176.6059 56 E 4.0812 7.5853 124.0961 56.3241 29.5886 176.0136 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 1 G 8.34 3.92 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 0.00 0.00 0.00 2 E 8.82 4.16 0.00 2.17 1.95 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 2.23 2.31 0.00 3 Q 9.20 4.22 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 4 V 7.85 4.73 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 0.86 0.00 0.00 0.94 0.00 0.00 5 F 8.88 4.75 0.00 2.89 3.11 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 0.00 6 A 8.80 4.33 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 7 V 8.33 3.65 1.56 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 0.44 0.00 0.00 0.77 0.00 0.00 8 E 9.09 4.12 0.00 1.97 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 2.29 2.29 0.00 9 S 7.25 4.50 0.00 3.75 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 10 I 8.09 3.96 1.18 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.54 0.00 0.00 11 R 8.56 4.20 0.00 1.67 1.76 0.00 3.23 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 12 K 7.38 4.83 0.00 1.60 1.84 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.33 7.81 13 K 8.56 4.98 0.00 1.81 1.86 0.00 2.19 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.22 0.95 7.81 14 R 8.34 4.50 0.00 1.81 1.97 0.00 2.49 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 15 V 8.22 4.50 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 0.74 0.00 0.00 0.88 0.00 0.00 16 R 8.60 4.24 0.00 1.61 1.62 0.00 3.26 0.00 0.00 2.98 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 17 K 9.66 3.69 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.39 7.81 18 G 8.80 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.85 4.33 0.00 1.89 1.71 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.47 7.81 20 V 8.40 4.12 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 0.67 0.00 0.00 0.93 0.00 0.00 21 E 8.82 5.16 0.00 2.28 2.05 0.00 0.00 0.00 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 2.21 0.00 22 Y 8.76 5.00 0.00 2.98 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 23 L 8.40 4.04 0.00 0.27 0.95 -0.10 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.27 3.54 1.76 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 -0.23 0.00 0.00 0.79 0.00 0.00 25 K 8.27 4.59 0.00 1.70 1.63 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.46 7.81 26 W 8.67 4.75 0.00 3.33 3.14 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 0.00 0.00 0.00 27 K 8.74 4.05 0.00 1.91 1.94 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.62 7.81 28 G 8.40 3.79 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 0.00 0.00 0.00 29 W 7.80 4.64 0.00 3.52 3.16 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 30 P 0.00 4.61 0.00 2.37 2.26 0.00 3.84 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 2.49 2.08 0.00 31 P 0.00 4.43 0.00 2.26 2.38 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 32 K 8.14 4.03 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.58 1.69 7.81 33 Y 8.12 4.30 0.00 3.32 3.04 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 34 S 7.81 4.91 0.00 3.85 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 35 T 8.67 4.88 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 1.22 0.00 0.00 36 W 8.80 5.17 0.00 3.17 3.20 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 37 E 9.01 4.71 0.00 2.03 1.97 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 2.50 2.51 0.00 38 P 0.00 5.11 0.00 2.29 2.25 0.00 3.52 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 39 E 9.17 3.99 0.00 2.32 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 2.42 2.67 0.00 40 E 7.74 4.09 0.00 2.16 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 0.00 2.44 2.36 0.00 41 H 8.21 4.65 0.00 3.34 3.41 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.12 3.81 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.04 0.70 0.00 0.00 43 L 8.59 4.12 0.00 1.62 1.71 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.69 4.74 0.00 2.63 2.46 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 0.00 45 P 0.00 4.31 0.00 2.29 2.27 0.00 3.73 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 2.05 2.04 0.00 46 R 7.99 4.02 0.00 2.01 2.01 0.00 3.12 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 1.64 1.62 0.00 47 L 7.49 3.85 0.00 1.77 1.77 0.74 0.59 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 48 V 7.52 3.78 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 1.20 0.00 0.00 0.37 0.00 0.00 49 M 8.27 4.13 0.00 2.24 2.17 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 2.75 2.57 0.00 50 A 8.07 4.22 1.46 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 0.00 0.00 0.00 51 Y 7.33 4.15 0.00 2.93 3.27 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 0.00 0.00 0.00 0.00 52 E 7.87 4.14 0.00 1.95 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 2.19 2.67 0.00 53 E 7.68 3.81 0.00 2.12 2.05 0.00 0.00 0.00 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 2.37 0.00 54 K 7.97 4.35 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 55 E 8.01 4.06 0.00 2.15 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 0.00 2.36 2.29 0.00 56 E 7.59 4.08 0.00 2.07 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 0.00 2.32 2.25 0.00