NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5260 0.0000 0.0000 62.7427 33.7558 174.3450 2 F 5.3698 8.6699 121.4338 56.2155 41.7453 172.2607 3 I 4.1249 9.2522 128.4636 59.5205 39.5155 173.7195 4 E 4.6624 8.1421 128.3581 54.3722 31.4710 174.5973 5 C 4.6493 9.0775 125.0871 58.4156 30.8247 172.7704 6 H 5.3410 8.7742 122.4270 54.4229 29.4180 174.6416 7 I 4.8292 8.7020 116.4103 58.4229 41.4921 174.6665 8 A 4.6262 8.4970 124.0661 51.9185 18.8688 177.5320 9 T 3.9063 8.5985 116.1622 62.7587 67.8118 173.3150 10 G 3.6090 8.8303 113.9823 45.4625 0.0000 174.5317 11 L 4.3041 7.5916 120.3997 53.9098 42.7669 177.2997 12 S 4.4405 8.2939 116.5864 57.8872 65.1447 175.7388 13 V 3.6021 8.2614 122.2424 65.0436 31.0803 178.2896 14 A 3.9638 7.9379 120.9826 54.8249 18.2904 179.4469 15 R 3.8797 7.9999 117.2661 59.4013 30.1560 178.9763 16 K 4.0218 8.1423 118.4892 59.4485 32.0626 179.3614 17 Q 4.0145 8.4190 118.7676 58.9760 28.5571 178.6682 18 Q 3.9480 8.1513 120.6316 58.9783 28.9956 177.9668 19 L 3.9283 8.0346 121.3788 58.2965 42.1150 179.0389 20 I 3.6816 7.8225 119.6881 64.2970 37.0010 178.3492 21 R 3.8874 7.9642 119.5169 59.6972 29.8557 178.4086 22 D 4.3852 8.3475 118.7685 57.0375 40.7618 178.9349 23 V 3.5493 8.0865 119.1953 65.9817 31.5741 177.9397 24 I 3.6671 7.8091 119.5422 64.5489 36.9760 177.9134 25 D 4.2836 8.0390 118.5383 57.3386 41.1037 178.2903 26 V 3.5764 7.9930 118.9571 66.2884 31.4128 178.0231 27 T 3.8052 7.8681 115.3291 66.6961 68.3297 175.9522 28 N 4.3887 8.1907 118.7758 56.9367 38.7666 177.0171 29 K 4.0627 8.1555 118.4741 58.5704 32.1763 178.6940 30 S 4.5249 7.9147 113.5027 59.2656 63.9308 174.9278 31 I 4.2585 8.1859 120.3845 60.2510 38.6410 176.6483 32 G 3.9784 8.2771 108.6280 44.9399 0.0000 174.2261 33 S 4.0902 7.8104 115.5560 58.5173 63.5165 173.6793 34 D 4.3818 8.7584 124.3175 53.8340 41.6149 174.9142 35 P 4.2632 0.0000 0.0000 65.7363 31.5064 178.3447 36 K 4.1294 8.2603 116.1211 58.6391 32.6819 177.5795 37 I 4.2453 7.6924 111.6982 60.4991 37.7977 175.0232 38 I 4.4042 7.5215 123.0515 60.8056 37.8522 174.8043 39 N 5.0831 9.4118 125.8064 51.4485 40.9486 174.2310 40 V 4.9604 8.5194 122.6681 60.9500 34.7046 174.0599 41 L 4.8004 9.1140 129.7767 53.1867 44.7967 174.4179 42 L 4.9813 8.6273 128.4459 53.5245 43.5643 175.2650 43 V 4.3973 9.1598 127.0860 61.1177 34.0911 173.8047 44 E 5.0464 8.6860 127.0431 55.2002 31.1948 174.9971 45 H 5.1151 9.0930 120.3505 53.4228 33.4960 173.0946 46 A 4.3574 8.4956 123.4870 51.9851 19.2729 178.6885 47 E 3.8428 8.9429 121.5422 59.4274 29.7116 179.5165 48 A 4.0663 7.9296 120.2329 54.7948 18.4684 177.6077 49 N 4.7122 8.0065 111.0205 53.6316 39.1245 174.8253 50 M 4.6617 7.7627 118.2544 53.2107 34.5882 174.9632 51 S 4.7562 8.4920 116.5783 55.5231 64.7016 172.8741 52 I 4.2491 8.3128 128.5936 60.8708 38.4751 176.0543 53 S 3.4334 9.5561 122.5209 59.7419 60.0682 173.4745 54 G 3.9261 7.6804 104.3981 45.7922 0.0000 174.3746 55 R 4.0766 7.7872 120.2694 55.8847 30.6705 175.5652 56 I 4.3920 8.0814 123.4192 59.6424 38.3763 175.2339 57 H 4.0128 8.7454 125.5117 57.7191 30.2251 175.0637 58 G 3.9016 8.5169 114.1737 45.7500 0.0000 172.9315 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 P 0.00 4.53 0.00 2.17 2.30 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 2 F 8.67 5.37 0.00 2.95 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 3 I 9.25 4.12 1.80 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 1.09 0.91 0.81 0.00 0.00 4 E 8.14 4.66 0.00 1.18 1.48 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 0.00 1.91 2.15 0.00 5 C 9.08 4.65 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.77 5.34 0.00 3.06 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.70 4.83 1.88 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 1.15 1.28 0.91 0.00 0.00 8 A 8.50 4.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.60 3.91 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 1.20 0.00 0.00 10 G 8.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.30 0.00 1.65 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.29 4.44 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 3.60 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 0.95 0.00 0.00 0.93 0.00 0.00 14 A 7.94 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.88 0.00 1.96 2.03 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.14 4.02 0.00 1.99 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 17 Q 8.42 4.01 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 18 Q 8.15 3.95 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 19 L 8.03 3.93 0.00 1.80 1.82 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.82 3.68 2.00 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 1.66 0.78 0.92 0.00 0.00 21 R 7.96 3.89 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 22 D 8.35 4.39 0.00 2.85 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 V 8.09 3.55 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 1.02 0.00 0.00 0.98 0.00 0.00 24 I 7.81 3.67 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.92 0.92 0.00 0.00 25 D 8.04 4.28 0.00 2.84 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 26 V 7.99 3.58 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 0.97 0.00 0.00 0.98 0.00 0.00 27 T 7.87 3.81 4.43 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 1.22 0.00 0.00 28 N 8.19 4.39 0.00 2.83 2.96 0.00 0.00 7.32 6.33 0.00 0.00 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 K 8.16 4.06 0.00 1.77 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.59 7.81 30 S 7.91 4.52 0.00 4.03 3.97 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 31 I 8.19 4.26 1.98 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 1.23 0.54 0.95 0.00 0.00 32 G 8.28 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 33 S 7.81 4.09 0.00 3.88 3.85 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 34 D 8.76 4.38 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 35 P 0.00 4.26 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 36 K 8.26 4.13 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.81 1.38 7.81 37 I 7.69 4.25 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 1.36 0.78 0.92 0.00 0.00 38 I 7.52 4.40 1.99 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 1.25 0.79 0.94 0.00 0.00 39 N 9.41 5.08 0.00 2.76 2.77 0.00 0.00 5.96 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 40 V 8.52 4.96 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 0.78 0.00 0.00 0.96 0.00 0.00 41 L 9.11 4.80 0.00 2.09 1.68 0.98 0.68 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 42 L 8.63 4.98 0.00 1.68 1.54 0.91 0.90 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 43 V 9.16 4.40 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 0.98 0.00 0.00 0.92 0.00 0.00 44 E 8.69 5.05 0.00 1.83 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 2.21 2.28 0.00 45 H 9.09 5.12 0.00 3.02 3.14 0.00 5.62 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 46 A 8.50 4.36 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 3.84 0.00 1.56 1.69 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 2.33 2.17 0.00 48 A 7.93 4.07 1.30 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 49 N 8.01 4.71 0.00 2.89 2.84 0.00 0.00 6.80 7.28 0.00 0.00 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 M 7.76 4.66 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 51 S 8.49 4.76 0.00 3.79 3.71 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 52 I 8.31 4.25 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 1.41 0.81 0.91 0.00 0.00 53 S 9.56 3.43 0.00 3.99 3.91 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 0.00 0.00 0.00 54 G 7.68 3.93 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 0.00 0.00 0.00 55 R 7.79 4.08 0.00 2.23 1.87 0.00 3.16 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 56 I 8.08 4.39 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 1.30 0.79 0.92 0.00 0.00 57 H 8.75 4.01 0.00 3.20 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.52 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00