NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5358 8.3049 120.3615 55.2514 33.7375 172.4378 2 I 2.8489 7.2567 120.7235 59.0976 37.5395 169.1151 3 V 3.0037 8.4947 124.8714 61.8025 32.9128 173.6456 4 P 4.2151 0.0000 0.0000 61.9105 31.4400 176.5899 5 V 3.5466 8.2429 124.0979 63.5966 32.0762 172.5873 6 R 3.8605 8.5126 131.7509 55.4768 30.1842 175.4324 7 C 4.0080 8.3369 120.9192 58.5211 31.7445 173.1924 8 F 4.4626 7.7052 124.0414 59.6689 38.4164 177.9313 9 S 3.7070 7.6508 116.2247 63.4617 64.1161 176.0262 10 C 4.1497 8.1406 119.3725 60.8414 30.3814 175.5301 11 G 4.4808 7.5183 108.6120 44.5989 0.0000 172.9324 12 K 4.1295 7.8689 120.9652 55.0610 32.9628 176.4384 13 V 3.8562 8.1350 125.1428 64.2442 31.7227 176.4899 14 V 4.3632 8.0450 121.3160 64.1021 33.2450 174.7027 15 G 3.7687 8.1210 108.6301 47.4448 0.0000 175.2843 16 D 4.5626 8.2194 119.6319 56.1261 40.2408 178.8536 17 K 3.9925 8.1775 119.7906 58.7654 31.9355 177.3389 18 W 4.7869 8.5591 128.7910 60.5604 30.3534 177.0850 19 E 3.7520 8.4216 116.9860 59.8992 29.4134 179.7257 20 S 4.0953 8.1075 114.1866 61.9460 62.2639 176.1102 21 Y 3.9917 8.3447 122.4776 60.3105 38.3909 177.2337 22 L 3.6465 8.0112 121.3352 57.0208 42.1779 177.8962 23 N 4.3227 7.7658 116.7438 55.5668 39.0321 176.1247 24 L 4.1765 7.6140 118.4791 55.7163 41.0729 178.1368 25 L 4.1513 6.8324 116.0550 56.4789 42.3956 178.5044 26 Q 3.8284 7.3549 118.3431 58.9150 28.8300 176.3412 27 E 4.0943 7.3167 117.4625 57.7725 29.8492 177.2696 28 D 4.2340 8.4194 119.8881 56.6663 41.5784 178.6403 29 E 3.7803 7.8708 113.2229 57.4176 25.8596 174.4782 30 L 4.8018 7.9036 125.6649 52.2940 45.8856 175.7157 31 D 4.6845 8.8809 119.2602 53.5230 41.1797 177.5398 32 E 3.1777 8.6271 117.2695 55.3513 30.4918 180.3764 33 G 4.0278 8.2751 109.1744 48.1090 0.0000 175.5955 34 T 3.9059 8.3489 118.6316 66.3861 68.5852 176.5164 35 A 3.9462 7.9011 122.6436 55.4940 18.2672 179.2422 36 L 4.0240 8.2296 116.3870 58.4750 41.5641 179.6439 37 S 4.1431 7.5630 112.4435 62.1041 62.9051 176.9092 38 R 4.0679 7.7575 119.7592 59.3078 30.0195 178.2408 39 L 4.1948 7.7640 117.1025 55.9136 41.6067 176.9965 40 G 4.1398 7.9691 106.9288 45.9503 0.0000 172.6891 41 L 4.0185 7.7736 119.9297 54.8735 40.0375 176.7463 42 K 4.1471 7.7126 123.6016 57.8872 33.4932 177.4291 43 R 4.4008 7.6436 115.5980 55.6400 32.3273 176.7871 44 Y 4.3255 9.1881 120.1202 60.8414 37.2882 178.4205 45 C 3.7917 8.1258 114.9638 61.5501 28.5224 175.2573 46 C 4.2833 7.8991 115.7982 58.7549 29.7920 175.1128 47 R 3.7527 7.8597 122.4697 59.1998 29.7960 177.9549 48 R 3.9109 8.6827 116.1702 59.8024 29.0051 177.8321 49 M 3.6922 7.4027 118.5492 58.8721 31.8826 178.5087 50 I 3.6141 7.2482 117.7496 64.3108 37.4985 177.7483 51 L 4.0136 7.8514 119.2180 58.2109 41.7118 178.2190 52 T 4.3306 7.6494 113.9653 64.1597 69.6062 175.0717 53 H 3.8295 7.1004 118.9756 56.7137 30.1174 173.8719 54 V 4.1414 8.1821 125.9767 61.1629 33.0597 175.5854 55 D 4.6719 8.3501 130.3416 54.1438 40.9652 177.4701 56 L 3.6238 8.1320 122.5653 58.7431 42.2546 180.5858 57 I 4.1665 7.9905 117.6304 64.2025 38.0706 176.6268 58 E 4.1494 8.0822 118.4146 59.8654 29.2885 179.4781 59 K 4.1367 8.8688 119.1458 58.9859 31.8642 179.4909 60 F 4.7305 7.8122 117.0381 60.9446 39.3176 176.8077 61 L 4.2804 9.2038 119.5849 58.1565 41.1571 179.6267 62 R 4.1117 7.4037 113.6644 56.6841 29.8302 176.1964 63 Y 4.0023 8.2333 115.5406 57.5995 38.4454 175.4483 64 N 4.4699 8.8883 128.7942 53.8926 45.7800 172.0665 65 P 4.4679 0.0000 0.0000 62.9793 31.6957 176.8402 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 4.54 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 2 I 7.26 2.85 1.84 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 1.22 0.18 0.83 0.00 0.00 3 V 8.49 3.00 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 0.66 0.00 0.00 0.10 0.00 0.00 4 P 0.00 4.22 0.00 1.72 1.66 0.00 3.38 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 5 V 8.24 3.55 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 6 R 8.51 3.86 0.00 1.97 2.03 0.00 3.25 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 7 C 8.34 4.01 0.00 2.85 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 F 7.71 4.46 0.00 3.12 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 9 S 7.65 3.71 0.00 3.84 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 10 C 8.14 4.15 0.00 3.08 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 11 G 7.52 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.87 4.13 0.00 1.80 1.67 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 V 8.13 3.86 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 0.81 0.00 0.00 0.93 0.00 0.00 14 V 8.04 4.36 1.98 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 0.71 0.00 0.00 0.94 0.00 0.00 15 G 8.12 3.77 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 0.00 0.00 0.00 16 D 8.22 4.56 0.00 2.96 2.96 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 17 K 8.18 3.99 0.00 1.94 2.06 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.66 7.81 18 W 8.56 4.79 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 19 E 8.42 3.75 0.00 2.10 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 0.00 2.42 2.54 0.00 20 S 8.11 4.10 0.00 4.05 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 21 Y 8.34 3.99 0.00 3.07 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 22 L 8.01 3.65 0.00 0.85 1.29 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.77 4.32 0.00 3.04 2.69 0.00 0.00 7.04 6.73 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 24 L 7.61 4.18 0.00 1.54 1.56 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 L 6.83 4.15 0.00 1.62 1.48 0.61 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.35 3.83 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 27 E 7.32 4.09 0.00 2.20 1.74 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 2.25 2.22 0.00 28 D 8.42 4.23 0.00 2.57 2.67 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 0.00 0.00 0.00 0.00 29 E 7.87 3.78 0.00 1.96 2.22 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 2.24 2.42 0.00 30 L 7.90 4.80 0.00 1.65 1.47 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.88 4.68 0.00 2.81 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 32 E 8.63 3.18 0.00 2.16 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 2.50 2.62 0.00 33 G 8.28 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 34 T 8.35 3.91 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 1.21 0.00 0.00 35 A 7.90 3.95 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 36 L 8.23 4.02 0.00 1.92 1.81 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.56 4.14 0.00 4.04 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 38 R 7.76 4.07 0.00 1.85 2.15 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 7.76 4.19 0.00 1.94 1.78 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.97 4.14 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 0.00 0.00 0.00 41 L 7.77 4.02 0.00 1.68 1.72 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.71 4.15 0.00 1.86 1.74 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 43 R 7.64 4.40 0.00 2.37 2.14 0.00 3.11 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 44 Y 9.19 4.33 0.00 3.21 3.17 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 0.00 0.00 0.00 0.00 45 C 8.13 3.79 0.00 3.06 2.91 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 46 C 7.90 4.28 0.00 3.14 3.17 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 0.00 0.00 0.00 0.00 47 R 7.86 3.75 0.00 2.20 2.10 0.00 3.31 0.00 0.00 3.28 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 48 R 8.68 3.91 0.00 2.08 2.26 0.00 2.90 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 49 M 7.40 3.69 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 50 I 7.25 3.61 1.66 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.32 0.00 0.00 51 L 7.85 4.01 0.00 1.61 1.89 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.65 4.33 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 1.24 0.00 0.00 53 H 7.10 3.83 0.00 2.82 2.98 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.18 4.14 2.06 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 0.82 0.00 0.00 1.01 0.00 0.00 55 D 8.35 4.67 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.62 0.00 1.45 0.87 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.99 4.17 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 1.10 0.00 0.00 58 E 8.08 4.15 0.00 2.16 2.06 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 2.76 2.63 0.00 59 K 8.87 4.14 0.00 1.59 1.78 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 F 7.81 4.73 0.00 3.25 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 61 L 9.20 4.28 0.00 1.91 1.83 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.40 4.11 0.00 1.77 1.85 0.00 3.20 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 63 Y 8.23 4.00 0.00 3.21 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 64 N 8.89 4.47 0.00 2.70 2.56 0.00 0.00 6.93 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 65 P 0.00 4.47 0.00 2.23 2.03 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00