NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3898 8.3044 120.3488 55.2067 33.1310 174.4025 2 V 3.5509 8.7531 126.9749 63.5535 31.4465 174.5117 3 I 4.5154 7.9285 113.8565 59.0070 40.5164 174.0528 4 A 4.6610 9.1071 129.0218 50.4173 21.5089 177.3802 5 T 3.9008 8.3620 114.6139 67.1433 68.1080 176.7471 6 D 4.7961 8.1139 119.1986 57.1901 40.9012 177.7934 7 D 4.5778 7.8781 117.7030 55.5855 41.2177 176.7343 8 L 4.6591 7.6808 118.5788 55.4010 44.3686 176.3162 9 E 5.1300 8.8266 116.4470 54.4522 33.0073 175.7854 10 V 4.4843 8.8423 123.0179 60.6748 34.3703 174.7987 11 A 4.3433 8.5183 128.1607 52.0775 19.1948 176.8857 12 C 4.2560 8.7254 123.3091 58.9636 32.1496 172.8190 13 P 4.3322 0.0000 0.0000 65.3677 31.7753 177.7224 14 K 4.0620 8.2455 119.4842 59.0138 32.2825 177.0799 15 C 4.4097 8.0489 111.2692 57.2018 31.1916 172.6340 16 E 3.9879 8.9733 119.5944 57.6999 26.7262 175.5194 17 R 4.8325 8.2999 113.7305 57.3176 28.7569 178.1986 18 A 3.9704 7.7796 121.3448 53.1911 18.8385 179.3790 19 G 4.0174 8.6041 101.5624 45.8697 0.0000 172.3528 20 E 4.7473 7.7264 119.9204 54.3984 32.5031 174.4829 21 I 4.2117 8.5128 127.1853 60.0868 38.2814 175.4079 22 E 3.4983 9.9724 129.0057 57.1499 27.9553 173.5743 23 G 4.2600 8.8751 107.7133 45.5390 0.0000 174.3330 24 T 4.4603 7.2456 108.1671 58.9130 70.3625 172.6960 25 P 4.6537 0.0000 0.0000 62.9345 32.0099 175.7137 26 C 4.3109 8.4853 121.1951 58.3123 31.3013 172.5975 27 P 4.3953 0.0000 0.0000 64.3193 31.2727 177.4889 28 A 4.2840 7.9983 121.2430 54.4363 19.4742 178.1322 29 C 4.5545 8.0059 108.5290 57.3113 30.0128 173.8101 30 S 3.8669 9.1827 113.6817 60.0556 60.1112 173.4368 31 G 4.3560 7.9892 108.6371 45.5179 0.0000 176.4944 32 K 3.9211 7.9118 118.5925 57.6891 32.4003 178.4198 33 G 4.0215 9.6879 106.4738 44.9903 0.0000 172.6073 34 V 4.9179 7.1828 116.9015 60.2643 34.7026 173.8883 35 I 4.6472 8.6739 122.8990 59.4400 40.2449 175.2146 36 L 4.7794 8.6183 126.3774 54.9148 42.7488 176.9082 37 T 4.3691 8.7355 112.9589 60.6426 70.7056 175.5747 38 A 4.0755 8.6823 122.9351 55.3889 18.2279 179.6253 39 Q 4.0089 8.1203 117.6468 59.2575 29.2834 178.4412 40 G 3.6586 8.2911 106.8508 47.9054 0.0000 174.8808 41 Y 4.0050 8.5936 122.7954 60.6522 38.8461 178.4685 42 T 3.9513 8.3345 110.8573 64.7238 68.9557 176.1372 43 L 3.9947 8.0082 123.4128 57.8146 42.0958 178.8122 44 L 3.9465 7.9606 120.2405 58.0544 42.0155 178.3527 45 D 4.1317 8.2493 118.4338 57.0669 41.0922 177.8683 46 F 4.2291 8.3104 121.1032 61.5237 39.4088 177.0610 47 I 3.4523 7.7407 119.0999 64.6003 36.7153 178.5455 48 Q 3.9713 7.9258 117.5313 58.7305 28.5385 178.4686 49 K 3.9908 7.8518 120.0113 58.6825 32.1540 177.0851 50 H 4.5287 7.6143 114.2515 55.3671 30.7315 173.4941 51 L 3.8520 8.0913 121.7096 56.7378 42.1150 177.0958 52 N 4.0974 8.7090 126.1652 53.6838 36.1695 174.2182 53 K 4.0826 7.6698 124.3222 56.8141 32.5391 175.0914 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 M 8.30 4.39 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.75 3.55 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 0.84 0.00 0.00 0.93 0.00 0.00 3 I 7.93 4.52 1.87 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 1.35 0.85 0.91 0.00 0.00 4 A 9.11 4.66 1.31 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 0.00 0.00 5 T 8.36 3.90 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 1.23 0.00 0.00 6 D 8.11 4.80 0.00 2.65 2.75 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 7 D 7.88 4.58 0.00 2.86 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 8 L 7.68 4.66 0.00 1.73 1.69 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.83 5.13 0.00 1.75 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 2.24 2.23 0.00 10 V 8.84 4.48 2.09 0.00 0.00 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 0.94 0.00 0.00 11 A 8.52 4.34 1.24 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 0.00 0.00 0.00 12 C 8.73 4.26 0.00 3.03 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 13 P 0.00 4.33 0.00 2.22 2.16 0.00 3.82 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 1.98 1.95 0.00 14 K 8.25 4.06 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 15 C 8.05 4.41 0.00 3.13 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 16 E 8.97 3.99 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 17 R 8.30 4.83 0.00 1.99 2.18 0.00 3.26 0.00 0.00 3.89 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 18 A 7.78 3.97 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 19 G 8.60 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.75 0.00 2.02 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 2.33 2.27 0.00 21 I 8.51 4.21 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 1.18 1.11 0.91 0.00 0.00 22 E 9.97 3.50 0.00 2.03 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 2.20 2.34 0.00 23 G 8.88 4.26 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 0.00 24 T 7.25 4.46 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 25 P 0.00 4.65 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 26 C 8.49 4.31 0.00 2.96 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 27 P 0.00 4.40 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 8.00 4.28 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 29 C 8.01 4.55 0.00 3.28 3.15 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 30 S 9.18 3.87 0.00 3.98 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 31 G 7.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.92 0.00 1.95 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 33 G 9.69 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.18 4.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.05 0.00 0.00 35 I 8.67 4.65 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 1.24 0.66 0.92 0.00 0.00 36 L 8.62 4.78 0.00 1.65 1.70 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.74 4.37 4.26 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 1.27 0.00 0.00 38 A 8.68 4.08 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 39 Q 8.12 4.01 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 40 G 8.29 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 0.00 0.00 0.00 41 Y 8.59 4.00 0.00 3.18 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 42 T 8.33 3.95 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 1.35 0.00 0.00 43 L 8.01 3.99 0.00 2.00 1.74 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.96 3.95 0.00 1.87 1.75 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.25 4.13 0.00 2.77 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 46 F 8.31 4.23 0.00 3.22 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 47 I 7.74 3.45 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.80 0.87 0.00 0.00 48 Q 7.93 3.97 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 49 K 7.85 3.99 0.00 1.75 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 1.34 7.81 50 H 7.61 4.53 0.00 2.66 3.01 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.09 3.85 0.00 1.75 1.55 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.71 4.10 0.00 2.79 2.91 0.00 0.00 6.87 7.61 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 53 K 7.67 4.08 0.00 1.73 1.53 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81