NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9483 8.1976 109.7375 44.4102 0.0000 172.5828 2 P 4.1726 0.0000 0.0000 63.5020 31.4229 174.4095 3 L 3.7085 8.9768 120.0885 55.3278 40.0470 176.8808 4 G 4.2181 7.3885 103.3743 45.4987 0.0000 174.3596 5 S 4.1745 8.5507 120.9637 60.8119 63.5625 173.8233 6 D 4.3672 7.3018 114.9595 54.5280 43.9498 173.8824 7 H 4.9118 8.4845 113.9579 55.0202 31.6205 176.6712 8 H 3.9161 8.1664 117.0544 57.6622 25.5717 176.7655 9 M 4.1364 8.6648 128.3806 55.3195 32.1971 176.9469 10 E 3.9416 8.4907 121.3894 57.8140 30.2736 175.8079 11 F 5.0106 6.5136 113.3307 54.5956 41.4758 173.5317 12 C 5.1402 8.5210 120.3996 58.5544 31.5948 174.3553 13 R 4.1734 8.8528 127.1567 58.5914 29.9667 176.8392 14 V 4.1214 7.9379 116.1560 64.4326 32.5298 176.0006 15 C 4.4401 7.9845 112.2326 57.3244 30.4424 174.9669 16 K 4.4288 8.2486 118.7759 56.8433 30.4116 175.1444 17 D 4.6881 7.8529 118.9281 53.8019 41.7273 176.8807 18 G 4.2976 8.6697 115.6699 45.1749 0.0000 174.4164 19 G 3.4153 9.1268 110.2487 47.0175 0.0000 176.5311 20 E 4.2157 8.7957 120.8254 54.8488 28.9621 174.9617 21 L 4.1186 7.5216 119.6640 54.4175 43.0810 177.9179 22 L 4.3191 8.8922 128.2402 53.8912 42.1577 174.3149 23 C 5.8490 8.3106 122.3991 56.8908 30.3016 173.4468 24 C 4.5435 8.5458 122.2864 59.0738 32.0205 173.9437 25 D 4.3814 8.7632 122.8164 56.3046 41.3606 176.1414 26 T 4.4066 7.2949 112.2331 65.5702 70.5935 174.2735 27 C 4.4558 7.5945 117.3474 58.1093 29.3069 172.0928 28 P 3.9005 0.0000 0.0000 63.2375 31.3651 177.7448 29 S 3.8038 7.4029 114.6704 58.6691 61.3383 174.6691 30 S 4.4111 7.4554 116.3645 58.4083 63.0009 173.3509 31 Y 5.4566 9.1350 128.9772 58.0006 41.7691 173.3268 32 H 4.7010 8.6690 120.7354 55.6712 32.9659 172.5908 33 I 3.9100 8.1881 111.7144 62.9443 37.8869 176.4789 34 H 5.1810 8.0362 114.7189 55.4344 28.9316 173.3128 35 C 4.8111 8.0309 116.2111 59.8904 28.6849 172.9992 36 L 4.5772 7.4414 119.1074 53.1845 45.4050 175.9979 37 N 4.2969 8.8042 117.0333 56.2622 38.9807 173.8725 38 P 4.5744 0.0000 0.0000 60.8595 31.2786 173.6749 39 P 4.6056 0.0000 0.0000 62.0855 31.9827 175.9833 40 L 4.6871 8.3409 123.7246 52.4448 43.1043 175.3954 41 P 4.4018 0.0000 0.0000 64.9967 31.7744 175.7217 42 E 4.6855 7.5645 116.4308 54.3151 33.6525 174.2108 43 I 3.8680 7.9936 114.0010 59.3782 38.5017 174.0552 44 P 4.2404 0.0000 0.0000 62.6901 31.3635 176.6646 45 N 4.6913 8.6916 123.5849 50.8626 38.1386 175.3520 46 G 4.0284 7.3938 116.1764 44.9612 0.0000 170.0077 47 E 4.6436 8.3933 127.0322 54.6462 31.0173 175.2822 48 W 5.1350 8.6598 135.0000 55.7534 34.1670 173.6489 49 L 4.3289 8.0042 126.8630 53.0053 42.8450 176.4047 50 C 3.1331 7.9497 116.9522 57.4576 29.8236 172.6961 51 P 4.4920 0.0000 0.0000 63.5721 30.8370 176.8510 52 R 4.4919 7.6055 116.2635 57.3520 31.2626 177.5302 53 C 4.2650 7.6430 115.2094 61.8177 28.1139 174.6288 54 T 4.0945 7.6792 108.9060 63.1421 68.7971 173.7591 55 C 4.7897 7.6247 115.8732 56.3717 32.8141 171.7696 56 P 4.5673 0.0000 0.0000 61.9899 31.0251 175.5086 57 A 4.2704 7.7106 120.9880 53.2196 21.6184 177.7618 58 L 3.8085 8.6805 120.1831 56.0950 40.6125 176.3094 59 K 4.2344 7.6708 117.6461 58.1198 32.4492 177.3288 60 G 4.0808 7.8511 106.8238 45.7377 0.0000 173.6564 61 K 4.1853 8.0258 124.3598 56.1279 32.3796 176.6691 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 8.20 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 0.00 0.00 0.00 2 P 0.00 4.17 0.00 2.27 2.08 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 L 8.98 3.71 0.00 1.82 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.39 4.22 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 0.00 5 S 8.55 4.17 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 6 D 7.30 4.37 0.00 2.52 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 7 H 8.48 4.91 0.00 3.16 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.17 3.92 0.00 3.26 2.74 0.00 5.69 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.66 4.14 0.00 1.70 1.70 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.19 0.00 10 E 8.49 3.94 0.00 2.15 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 2.50 2.43 0.00 11 F 6.51 5.01 0.00 3.33 3.05 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 0.00 0.00 0.00 12 C 8.52 5.14 0.00 3.43 3.25 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 13 R 8.85 4.17 0.00 1.89 2.34 0.00 3.48 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 14 V 7.94 4.12 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 0.84 0.00 0.00 0.89 0.00 0.00 15 C 7.98 4.44 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 16 K 8.25 4.43 0.00 1.95 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.41 7.81 17 D 7.85 4.69 0.00 2.80 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 18 G 8.67 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 0.00 0.00 0.00 0.00 19 G 9.13 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.22 0.00 1.97 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 2.24 2.30 0.00 21 L 7.52 4.12 0.00 1.52 1.54 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.89 4.32 0.00 1.43 1.12 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.31 5.85 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.55 4.54 0.00 2.77 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.76 4.38 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.29 4.41 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 27 C 7.59 4.46 0.00 2.81 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 28 P 0.00 3.90 0.00 2.01 2.00 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 29 S 7.40 3.80 0.00 3.49 3.13 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 30 S 7.46 4.41 0.00 3.76 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 31 Y 9.14 5.46 0.00 2.93 2.66 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 32 H 8.67 4.70 0.00 3.12 3.10 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.19 3.91 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 0.73 0.00 0.00 34 H 8.04 5.18 0.00 3.17 3.34 0.00 5.50 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.03 4.81 0.00 3.18 2.99 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 36 L 7.44 4.58 0.00 1.59 1.56 1.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.80 4.30 0.00 2.65 2.84 0.00 0.00 6.88 7.69 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 38 P 0.00 4.57 0.00 2.28 2.11 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 39 P 0.00 4.61 0.00 2.08 2.04 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 40 L 8.34 4.69 0.00 1.54 1.56 0.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.40 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 42 E 7.56 4.69 0.00 1.89 1.81 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 2.18 2.26 0.00 43 I 7.99 3.87 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.86 0.00 0.00 44 P 0.00 4.24 0.00 2.11 2.14 0.00 3.35 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.92 0.00 45 N 8.69 4.69 0.00 2.68 2.76 0.00 0.00 7.17 7.98 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 46 G 7.39 4.03 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 0.00 0.00 0.00 47 E 8.39 4.64 0.00 2.01 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 2.46 2.40 0.00 48 W 8.66 5.13 0.00 3.40 2.98 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 49 L 8.00 4.33 0.00 1.25 1.25 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.95 3.13 0.00 3.04 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 51 P 0.00 4.49 0.00 2.29 2.40 0.00 3.98 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 52 R 7.61 4.49 0.00 2.07 2.21 0.00 2.94 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 53 C 7.64 4.27 0.00 2.99 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 54 T 7.68 4.09 4.23 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 1.17 0.00 0.00 55 C 7.62 4.79 0.00 3.06 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 56 P 0.00 4.57 0.00 2.06 2.08 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 57 A 7.71 4.27 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 58 L 8.68 3.81 0.00 1.79 1.77 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.67 4.23 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.50 7.81 60 G 7.85 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 61 K 8.03 4.19 0.00 1.92 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.36 7.81