NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5396 8.1133 121.1215 56.2359 32.1286 173.7099 2 I 4.7344 9.0007 126.9281 59.3149 39.9775 172.7027 3 C 5.1705 9.7229 124.6034 54.7688 44.8922 173.4127 4 F 5.0583 8.8903 120.6859 57.6205 39.2367 175.1053 5 N 5.6685 9.2849 117.4018 51.7154 38.8624 174.2089 6 H 4.5653 8.4685 114.3646 55.5901 29.8645 174.6344 7 Q 4.5153 8.3956 119.7281 56.4766 31.4955 177.9645 8 T 3.1912 8.1521 117.8873 65.0840 69.0457 173.6783 9 S 4.6514 8.8172 122.1160 59.1090 63.3157 173.8820 10 Q 4.2532 7.9516 120.1997 54.5907 29.1126 174.3989 11 P 4.2589 0.0000 0.0000 62.4492 31.8236 176.8750 12 Q 3.3926 8.3711 121.6305 56.4166 29.2766 175.9341 13 T 5.0121 8.3393 111.5072 60.2159 72.8496 172.3725 14 T 5.2744 8.4861 111.3255 59.8765 72.6250 172.7521 15 K 4.5912 9.1048 122.5687 54.9309 35.7086 175.0538 16 T 4.5893 8.5657 124.2078 63.0730 68.8517 175.4965 17 C 4.6466 8.9819 125.0003 56.3141 42.4821 174.2397 18 S 4.3697 8.6747 116.4165 58.1778 63.2042 173.8361 19 P 4.1703 0.0000 0.0000 65.9689 31.0073 177.8135 20 G 3.8246 7.9432 102.7691 45.6635 0.0000 172.7442 21 E 4.2956 8.2845 123.2039 55.3852 30.2248 176.5678 22 S 4.7391 8.6940 118.5326 57.7977 64.6316 172.9376 23 S 5.1159 8.4092 116.5033 57.0318 65.1254 171.9444 24 C 5.6634 9.0607 121.2745 55.3233 38.7497 172.5773 25 Y 5.5242 8.7439 118.5471 55.4514 41.9471 173.7784 26 N 5.2071 9.5183 118.7029 51.9738 42.4398 172.7264 27 K 5.2897 9.5679 128.2266 54.8461 35.3096 174.7077 28 Q 5.1780 9.6003 125.9996 54.2551 33.1770 174.5642 29 W 5.4024 8.2191 118.4964 55.8969 31.9968 173.0490 30 S 5.2326 8.9783 114.6155 57.2840 65.9847 173.6284 31 D 4.9617 8.8324 122.0921 51.7006 42.3261 175.6809 32 F 4.2863 9.2068 112.8987 60.1579 37.6281 176.5202 33 R 3.7425 7.4780 119.4062 56.6006 30.7803 175.5940 34 G 3.7358 7.2867 104.2216 44.3187 0.0000 172.4420 35 T 4.3974 8.2948 119.1280 63.4070 69.4261 174.4037 36 I 4.1688 8.3182 127.3249 59.2746 40.2477 174.6764 37 I 4.7513 7.8698 125.7979 59.3975 40.5309 173.9273 38 E 4.9914 9.4068 128.3935 54.5618 32.3451 174.8051 39 R 4.6065 8.0681 123.4850 54.6192 34.9392 174.9691 40 G 4.1115 6.5731 106.2597 46.7692 0.0000 171.8540 41 C 4.9555 9.0888 117.0701 57.1797 41.3857 174.3249 42 G 3.8443 10.1762 109.2390 44.8982 0.0000 173.1425 43 C 4.7576 7.9658 116.7212 54.4073 44.0233 172.0852 44 P 4.4524 0.0000 0.0000 61.9632 32.0249 176.6356 45 T 4.2867 8.0129 115.9157 62.8700 69.3801 174.9358 46 V 4.4671 7.8435 117.7553 59.0285 35.4681 175.7527 47 K 4.2198 8.1195 120.7537 55.3269 32.7146 175.2419 48 P 4.4561 0.0000 0.0000 64.1739 31.8057 175.5894 49 G 4.1344 8.9562 108.6645 45.5117 0.0000 174.0327 50 I 4.1833 7.1955 120.2928 60.6685 38.0434 176.2727 51 K 4.3357 8.9571 127.5221 55.9846 33.0174 175.8061 52 L 5.4825 8.6176 126.9549 53.2268 45.1488 175.5704 53 S 4.8501 9.2355 119.2464 56.9097 66.5699 172.1064 54 C 5.7586 8.9544 119.5017 55.4064 44.7591 172.0779 55 C 5.2808 9.3981 116.5947 53.0003 45.4247 173.5302 56 E 5.1859 8.7197 115.1400 54.4538 29.4056 175.0874 57 S 4.6662 7.6213 110.9810 57.1476 66.6556 173.4937 58 E 3.8953 8.8066 120.3044 58.6799 29.7541 178.1420 59 V 2.8314 8.2275 117.7332 62.3096 29.5337 172.0779 60 C 4.6023 7.9612 113.3542 56.3510 42.7441 173.4951 61 N 4.8695 7.8284 118.0186 52.7897 37.7481 174.4027 62 N 4.3407 8.4319 122.4780 55.0519 39.0538 174.0898 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 R 8.11 4.54 0.00 1.95 1.93 0.00 3.21 0.00 0.00 3.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 9.00 4.73 1.75 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 1.35 0.05 0.79 0.00 0.00 3 C 9.72 5.17 0.00 2.77 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 4 F 8.89 5.06 0.00 3.09 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 5 N 9.28 5.67 0.00 2.67 2.83 0.00 0.00 6.97 7.52 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 6 H 8.47 4.57 0.00 3.28 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.40 4.52 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.81 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 8 T 8.15 3.19 4.12 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 1.13 0.00 0.00 9 S 8.82 4.65 0.00 3.77 3.78 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 10 Q 7.95 4.25 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 11 P 0.00 4.26 0.00 2.00 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 12 Q 8.37 3.39 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.63 2.04 0.00 13 T 8.34 5.01 4.28 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 1.22 0.00 0.00 14 T 8.49 5.27 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 1.14 0.00 0.00 15 K 9.10 4.59 0.00 1.80 1.63 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.45 7.81 16 T 8.57 4.59 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 1.20 0.00 0.00 17 C 8.98 4.65 0.00 2.84 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 18 S 8.67 4.37 0.00 3.89 3.80 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 19 P 0.00 4.17 0.00 2.03 2.15 0.00 3.67 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 2.04 2.12 0.00 20 G 7.94 3.82 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 0.00 0.00 0.00 21 E 8.28 4.30 0.00 2.07 1.97 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 2.32 2.41 0.00 22 S 8.69 4.74 0.00 4.00 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 23 S 8.41 5.12 0.00 3.95 3.92 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 24 C 9.06 5.66 0.00 2.89 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 25 Y 8.74 5.52 0.00 3.05 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 26 N 9.52 5.21 0.00 2.74 2.71 0.00 0.00 6.92 7.44 0.00 0.00 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 K 9.57 5.29 0.00 2.18 2.16 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.49 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.80 1.55 7.81 28 Q 9.60 5.18 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.24 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 29 W 8.22 5.40 0.00 3.39 3.30 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 30 S 8.98 5.23 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.83 4.96 0.00 3.04 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 32 F 9.21 4.29 0.00 3.19 3.21 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 0.00 0.00 0.00 0.00 33 R 7.48 3.74 0.00 1.54 1.70 0.00 2.87 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 34 G 7.29 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 35 T 8.29 4.40 4.13 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 1.12 0.00 0.00 36 I 8.32 4.17 0.56 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 0.92 0.78 0.23 0.00 0.00 37 I 7.87 4.75 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.46 0.87 0.00 0.00 38 E 9.41 4.99 0.00 2.37 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 0.00 2.51 2.46 0.00 39 R 8.07 4.61 0.00 1.69 1.72 0.00 2.98 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 40 G 6.57 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.09 4.96 0.00 3.05 3.08 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 42 G 10.18 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.97 4.76 0.00 2.93 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 44 P 0.00 4.45 0.00 1.95 1.67 0.00 3.46 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 0.00 45 T 8.01 4.29 4.19 0.00 0.00 0.00 0.00 0.00 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 46 V 7.84 4.47 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 0.70 0.00 0.00 0.96 0.00 0.00 47 K 8.12 4.22 0.00 1.74 1.68 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.37 7.81 48 P 0.00 4.46 0.00 2.03 1.99 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 49 G 8.96 4.13 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 0.00 0.00 0.00 50 I 7.20 4.18 1.98 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 1.31 0.74 1.04 0.00 0.00 51 K 8.96 4.34 0.00 1.81 1.79 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.44 7.81 52 L 8.62 5.48 0.00 1.63 1.52 1.04 0.93 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 53 S 9.24 4.85 0.00 3.92 3.92 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 54 C 8.95 5.76 0.00 2.87 3.04 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 0.00 0.00 0.00 0.00 55 C 9.40 5.28 0.00 2.94 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 56 E 8.72 5.19 0.00 2.04 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 2.16 2.28 0.00 57 S 7.62 4.67 0.00 3.92 3.82 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 58 E 8.81 3.90 0.00 1.92 1.86 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 2.28 2.25 0.00 59 V 8.23 2.83 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 0.00 0.00 0.11 0.00 0.00 0.74 0.00 0.00 60 C 7.96 4.60 0.00 3.10 3.24 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 61 N 7.83 4.87 0.00 2.95 2.96 0.00 0.00 6.03 8.04 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 62 N 8.43 4.34 0.00 2.68 2.74 0.00 0.00 7.08 7.56 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