NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.0297 0.0000 0.0000 60.8386 33.0042 174.4647 6 E 3.4424 8.3809 120.5123 55.1705 26.6300 169.1395 7 V 3.8771 8.2676 124.0714 62.5926 33.1135 173.3424 8 P 5.0560 0.0000 0.0000 61.4698 32.6890 174.8382 9 F 5.1179 7.6151 115.6563 55.0467 41.9280 173.3987 10 K 4.8886 8.7351 118.5669 55.6436 33.3889 176.7913 11 V 4.7524 8.6009 116.2677 59.7089 36.4850 174.3778 12 V 4.6840 8.0949 123.5499 60.7750 34.0292 174.7090 13 A 4.5110 8.4671 130.1308 52.5260 18.6254 177.9192 14 Q 4.2559 8.6939 121.3504 56.8506 29.6045 175.9004 15 F 5.1393 7.8902 115.9728 54.9400 43.4342 172.3845 16 P 4.9019 0.0000 0.0000 62.9864 32.7292 175.0570 17 Y 4.8241 8.5941 123.4576 55.9579 41.0225 174.1612 18 K 4.6960 7.9156 125.7246 54.6285 35.4303 175.9267 19 S 4.3941 7.9491 115.1120 58.0356 64.8881 175.2240 20 D 4.4785 8.3658 120.3802 54.9120 41.0895 176.3358 21 Y 4.4348 7.5254 118.9738 57.1635 38.7398 176.3327 22 E 4.1167 8.8751 122.6957 59.1423 30.6111 177.7891 23 D 4.6294 8.1759 118.9977 56.9244 41.8973 176.7254 24 D 5.2106 7.9345 117.4982 54.1733 41.9495 175.9012 25 L 4.6752 8.6680 123.6179 53.6743 43.0402 176.0678 26 N 4.9728 9.0696 123.9038 52.5804 39.9537 174.2989 27 F 4.9503 7.3832 112.4764 57.1337 40.5984 173.1644 28 E 4.6947 8.9045 120.0088 55.2067 29.5139 176.2605 29 K 3.9714 8.6211 121.8981 57.4629 33.5188 176.3468 30 D 4.5400 8.7428 123.7239 55.2243 39.1975 173.4174 31 Q 4.0664 7.1846 120.6838 55.4253 30.4194 174.2819 32 E 4.7420 8.4881 127.5136 55.3441 30.4038 174.9973 33 I 4.6696 8.5263 128.0672 59.5702 41.1739 175.2618 34 I 4.5744 8.5331 126.3033 59.2473 38.7903 174.9745 35 V 3.7675 7.8738 128.3850 63.3136 31.7380 176.2088 36 T 4.5978 8.3450 118.2764 61.6476 69.8133 174.2963 37 S 4.6255 7.3969 115.3603 58.0278 66.0873 174.5742 38 V 4.8575 8.4581 120.6840 61.6190 32.4950 175.2016 39 E 4.2391 8.9555 128.8432 59.0807 29.1768 176.1280 40 D 4.5043 7.4173 115.6921 53.1116 41.4873 175.2862 41 A 4.1681 8.8823 120.4211 55.0395 18.7228 178.3620 42 E 4.4698 8.0622 110.0891 55.8840 30.9918 175.4090 43 W 5.2102 8.1172 118.4704 55.0030 33.6252 174.0309 44 Y 4.9479 8.4729 120.5886 56.2945 41.2023 174.4145 45 F 5.1104 9.1450 123.1175 56.9132 41.8520 173.5062 46 G 4.5517 8.4959 115.7662 46.1409 0.0000 170.2232 47 E 5.2286 8.5978 116.4915 55.7247 33.2472 174.2228 48 Y 5.1232 7.9301 119.2399 55.4953 42.5315 173.8478 49 Q 4.4560 8.7334 121.3066 54.7363 29.4063 175.2200 50 D 5.0335 8.4669 126.4272 53.0001 40.5450 177.0383 51 S 4.3102 8.5978 113.9275 61.0451 62.8734 175.0270 52 N 4.5329 8.5654 116.5055 52.7883 39.0509 174.5134 53 G 3.7397 7.9034 105.6071 46.7627 0.0000 174.0142 54 D 4.6967 7.7543 117.1401 52.1214 44.3970 176.1851 55 V 4.2887 8.3629 124.3011 61.9942 30.6750 174.6639 56 I 4.3444 7.6989 121.1849 59.0594 39.2273 174.7928 57 E 4.6560 8.9401 119.5524 54.0559 33.1048 174.5786 58 G 4.0619 6.6398 108.1934 46.0771 0.0000 171.0154 59 I 5.6346 8.0801 113.6751 59.6619 39.6288 175.0666 60 F 5.2224 8.3155 117.7366 54.9413 41.2791 172.0143 61 P 3.9089 0.0000 0.0000 61.8918 32.0611 178.0289 62 K 3.9512 8.2336 121.1995 59.3147 32.0881 179.8174 63 S 4.3378 7.8597 111.7954 60.4455 63.4825 175.1090 64 F 4.4072 8.2830 118.7846 59.2906 38.9952 174.9186 65 V 5.2454 7.9250 112.2299 59.4469 35.5085 174.2383 66 A 4.8908 8.7739 122.5105 50.2647 22.9034 176.7076 67 V 4.0429 8.2449 117.5007 63.0918 31.3893 175.5652 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 P 0.00 4.03 0.00 1.08 1.81 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.84 0.00 6 E 8.38 3.44 0.00 2.20 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 2.23 2.32 0.00 7 V 8.27 3.88 2.17 0.00 0.00 0.00 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 0.95 0.00 0.00 8 P 0.00 5.06 0.00 2.04 1.97 0.00 3.39 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 9 F 7.62 5.12 0.00 3.09 3.12 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 10 K 8.74 4.89 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.48 7.81 11 V 8.60 4.75 2.31 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 1.04 0.00 0.00 1.07 0.00 0.00 12 V 8.09 4.68 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 0.87 0.00 0.00 0.90 0.00 0.00 13 A 8.47 4.51 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 14 Q 8.69 4.26 0.00 1.76 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 15 F 7.89 5.14 0.00 2.82 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 16 P 0.00 4.90 0.00 2.17 2.15 0.00 3.99 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 2.13 2.07 0.00 17 Y 8.59 4.82 0.00 2.67 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 18 K 7.92 4.70 0.00 1.50 1.52 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.35 7.81 19 S 7.95 4.39 0.00 3.97 3.31 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 20 D 8.37 4.48 0.00 2.24 2.52 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 0.00 0.00 0.00 0.00 21 Y 7.53 4.43 0.00 3.07 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 22 E 8.88 4.12 0.00 2.10 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 0.00 2.33 2.38 0.00 23 D 8.18 4.63 0.00 2.66 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 5.21 0.00 2.94 2.92 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 25 L 8.67 4.68 0.00 1.82 1.91 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 N 9.07 4.97 0.00 2.61 2.66 0.00 0.00 7.14 7.45 0.00 0.00 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 F 7.38 4.95 0.00 2.80 3.03 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 0.00 0.00 0.00 28 E 8.90 4.69 0.00 1.89 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 0.00 2.34 2.27 0.00 29 K 8.62 3.97 0.00 1.89 1.69 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81 30 D 8.74 4.54 0.00 2.77 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 31 Q 7.18 4.07 0.00 2.11 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 1.25 1.57 0.00 32 E 8.49 4.74 0.00 1.94 1.78 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 2.20 2.29 0.00 33 I 8.53 4.67 1.61 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 0.91 0.28 0.94 0.00 0.00 34 I 8.53 4.57 1.97 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 1.09 0.75 0.86 0.00 0.00 35 V 7.87 3.77 0.67 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 0.28 0.00 0.00 0.38 0.00 0.00 36 T 8.35 4.60 4.29 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 1.24 0.00 0.00 37 S 7.40 4.63 0.00 3.89 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 38 V 8.46 4.86 2.23 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 1.03 0.00 0.00 1.27 0.00 0.00 39 E 8.96 4.24 0.00 2.21 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 0.00 2.53 2.52 0.00 40 D 7.42 4.50 0.00 2.88 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 41 A 8.88 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.47 0.00 2.19 1.73 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 2.18 2.26 0.00 43 W 8.12 5.21 0.00 3.22 2.97 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 44 Y 8.47 4.95 0.00 1.68 2.41 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 0.00 45 F 9.14 5.11 0.00 3.23 2.88 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 46 G 8.50 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 5.23 0.00 1.99 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 2.22 2.25 0.00 48 Y 7.93 5.12 0.00 2.89 3.06 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 0.00 0.00 0.00 0.00 49 Q 8.73 4.46 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 50 D 8.47 5.03 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.60 4.31 0.00 3.92 3.99 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 0.00 0.00 0.00 52 N 8.57 4.53 0.00 2.84 2.86 0.00 0.00 6.99 7.66 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 53 G 7.90 3.74 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 0.00 0.00 0.00 54 D 7.75 4.70 0.00 2.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.29 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 0.81 0.00 0.00 0.92 0.00 0.00 56 I 7.70 4.34 1.70 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 0.95 0.23 0.81 0.00 0.00 57 E 8.94 4.66 0.00 1.68 1.85 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 2.16 2.38 0.00 58 G 6.64 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.08 5.63 2.15 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.35 1.21 0.00 0.00 60 F 8.32 5.22 0.00 2.98 3.34 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 61 P 0.00 3.91 0.00 1.88 1.04 0.00 2.25 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.44 0.00 62 K 8.23 3.95 0.00 1.57 1.62 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.26 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.83 7.81 63 S 7.86 4.34 0.00 3.91 3.96 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 0.00 0.00 0.00 0.00 64 F 8.28 4.41 0.00 3.50 3.52 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 0.00 0.00 0.00 0.00 65 V 7.93 5.25 2.29 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 0.76 0.00 0.00 1.39 0.00 0.00 66 A 8.77 4.89 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 67 V 8.24 4.04 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 0.66 0.00 0.00 0.94 0.00 0.00