NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2432 8.1133 117.2706 56.3059 30.6274 176.9136 11 S 4.0668 8.6550 113.5000 58.2104 62.8165 174.0705 12 G 3.6123 7.5524 110.7907 48.1959 0.0000 175.7440 13 R 4.0438 7.6455 114.7718 58.0206 29.8887 177.0337 14 F 5.0998 8.4295 117.7438 56.8568 40.1864 176.8083 15 G 3.6362 7.5625 109.8702 47.2581 0.0000 174.1991 16 A 4.4805 8.5657 127.6379 52.0437 18.9562 177.2108 17 R 4.0500 7.6294 118.0587 57.2419 31.4741 177.5284 18 Y 3.7887 8.1458 116.4124 57.5489 36.3566 171.0602 19 G 4.0258 7.6657 104.0132 45.2357 0.0000 173.3600 20 R 3.8910 8.0096 116.1649 59.1221 29.7449 179.0562 21 V 3.5299 7.7424 116.7422 66.7245 31.7935 178.3475 22 S 4.1244 8.1553 113.9952 61.8999 62.8319 176.9589 23 R 4.3179 7.8145 116.8127 58.4864 29.4005 178.6868 24 R 3.9045 8.4986 120.6027 59.6125 30.0444 178.6718 25 R 3.9241 8.2145 117.9700 59.1129 29.9380 179.2186 26 V 3.5495 7.8736 117.8028 65.6598 31.5137 178.0497 27 A 3.9333 8.0910 120.5578 55.1800 18.3222 179.1895 28 E 3.8878 8.2954 117.1606 59.8042 29.5896 179.8666 29 I 3.6955 7.9999 119.7572 64.6195 37.1553 178.5296 30 E 4.0627 8.4414 119.3434 58.8986 28.9740 179.4547 31 S 4.0608 8.3881 113.2953 61.4778 62.4852 175.5499 32 E 4.1171 8.2610 122.0519 59.3351 29.1079 178.3652 33 M 4.5754 8.0005 119.1844 58.1067 32.4843 177.3260 34 N 4.7282 8.3440 114.2130 53.4126 39.2591 175.4224 35 E 4.1360 6.9700 119.6716 56.1749 30.2155 176.2962 36 D 4.5637 8.3575 120.7434 54.7902 41.7492 175.5897 37 H 5.0480 8.6871 119.0555 53.6590 32.3721 172.8453 38 A 4.5888 8.6090 124.7985 51.6332 18.8035 176.8161 39 C 4.2756 9.2072 124.9006 59.0237 32.1383 173.2197 40 P 4.1296 0.0000 0.0000 65.2068 31.0054 176.5490 41 N 4.1079 6.6927 114.4328 55.4595 39.7884 178.4643 42 C 4.9646 7.7305 122.1297 57.5036 29.3750 176.2119 43 G 4.1455 8.5412 104.3083 45.6143 0.0000 172.0096 44 E 4.0131 8.0530 120.4682 55.8656 30.6373 176.7991 45 D 4.6833 8.2583 124.2109 53.4048 38.6288 176.2321 46 R 4.7579 7.6446 115.1217 55.7253 33.2687 175.6303 47 V 4.7544 8.0370 119.7627 62.3328 32.4340 175.0191 48 D 5.3726 9.3393 126.9544 52.3203 45.1537 175.2377 49 R 3.4527 8.6783 120.8534 56.0726 30.6441 176.2585 50 Q 4.3069 8.4570 123.0733 55.2477 30.7679 175.6071 51 G 3.6032 6.7593 103.7646 45.6807 0.0000 171.0301 52 T 3.5500 8.2222 116.9707 65.1596 67.9442 174.8584 53 G 4.3420 8.4509 115.0363 46.1068 0.0000 171.1962 54 I 4.5200 6.9156 121.5776 59.2637 39.1157 174.8438 55 W 5.0766 8.6343 126.8836 54.8636 32.8284 174.4090 56 Q 5.1024 9.0550 123.1256 54.8620 32.8446 172.8919 57 C 5.2075 9.3750 127.2884 58.4964 32.3375 174.5443 58 S 4.3254 9.1914 121.7793 60.5184 62.5096 174.4514 59 Y 4.5174 7.6243 122.8005 59.1599 39.1162 175.0994 60 C 4.1307 7.9565 112.5284 57.7551 30.6788 174.8600 61 D 4.6653 8.3203 119.4937 54.2619 39.2046 173.4376 62 Y 4.3904 7.5229 121.3612 58.4112 39.7408 174.8159 63 K 5.0326 8.5426 128.0162 54.6024 34.2916 174.7379 64 F 5.0080 8.9519 121.9914 55.5131 42.1045 173.1769 65 T 4.8604 8.6588 109.2267 61.1106 70.0778 174.9373 66 G 4.2699 8.2291 110.5390 45.5899 0.0000 171.8111 67 G 4.1027 8.5631 110.9180 44.9953 0.0000 174.7967 68 S 3.9782 8.4549 114.6918 60.7764 62.6344 175.1428 69 Y 5.0216 7.7801 114.4230 57.3966 39.8686 175.0342 70 K 4.5959 7.9068 118.8763 53.6191 36.1271 175.3655 71 P 3.1177 0.0000 0.0000 64.1527 31.6790 176.0667 72 E 4.7420 7.6561 117.6543 54.0005 32.8590 175.5327 73 T 4.6363 8.0994 113.3327 59.5458 72.3896 173.9831 74 P 4.3935 0.0000 0.0000 65.5469 31.5823 178.9699 75 G 3.8405 8.1136 104.6332 47.5445 0.0000 176.0063 76 G 3.6652 8.3209 108.3791 47.5030 0.0000 175.8552 77 K 4.1661 8.0259 119.3033 58.8165 32.4462 179.1975 78 T 4.0817 7.6594 116.4561 66.0758 68.1831 176.5932 79 V 3.6518 7.2304 118.9887 66.3146 31.5385 177.1235 80 R 4.0435 8.1608 116.3984 59.6092 31.0304 178.0515 81 R 3.3048 7.7137 107.4889 59.7150 29.7077 176.8570 82 S 4.2949 9.1866 119.8760 59.4678 62.6237 175.2227 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 10 R 8.11 4.24 0.00 1.98 1.40 0.00 2.93 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 S 8.65 4.07 0.00 4.05 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 12 G 7.55 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 13 R 7.65 4.04 0.00 1.83 1.93 0.00 2.82 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 0.00 14 F 8.43 5.10 0.00 3.43 3.18 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 0.00 15 G 7.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.48 1.23 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 0.00 0.00 0.00 17 R 7.63 4.05 0.00 0.89 0.66 0.00 2.83 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 18 Y 8.15 3.79 0.00 3.03 2.97 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 19 G 7.67 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 20 R 8.01 3.89 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.27 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 21 V 7.74 3.53 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 1.07 0.00 0.00 0.94 0.00 0.00 22 S 8.16 4.12 0.00 3.91 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 23 R 7.81 4.32 0.00 2.33 2.58 0.00 2.98 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.73 0.00 24 R 8.50 3.90 0.00 1.94 2.18 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 25 R 8.21 3.92 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 26 V 7.87 3.55 2.25 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 1.20 0.00 0.00 1.09 0.00 0.00 27 A 8.09 3.93 1.42 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 28 E 8.30 3.89 0.00 2.16 2.03 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 2.34 2.52 0.00 29 I 8.00 3.70 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.60 0.00 0.00 30 E 8.44 4.06 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 31 S 8.39 4.06 0.00 3.93 4.06 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 32 E 8.26 4.12 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 33 M 8.00 4.58 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.64 0.00 34 N 8.34 4.73 0.00 2.77 2.89 0.00 0.00 7.08 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 35 E 6.97 4.14 0.00 1.92 1.83 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 2.34 2.54 0.00 36 D 8.36 4.56 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.69 5.05 0.00 3.07 3.08 0.00 5.61 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 38 A 8.61 4.59 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 39 C 9.21 4.28 0.00 3.16 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 40 P 0.00 4.13 0.00 1.79 1.87 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.74 0.00 41 N 6.69 4.11 0.00 2.27 2.50 0.00 0.00 7.24 7.53 0.00 0.00 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 C 7.73 4.96 0.00 3.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 4.15 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 0.00 0.00 0.00 44 E 8.05 4.01 0.00 1.93 1.80 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 1.79 2.18 0.00 45 D 8.26 4.68 0.00 2.55 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 R 7.64 4.76 0.00 1.82 1.97 0.00 3.23 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 47 V 8.04 4.75 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.26 0.00 0.00 48 D 9.34 5.37 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 49 R 8.68 3.45 0.00 1.16 1.50 0.00 2.98 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 50 Q 8.46 4.31 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 51 G 6.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 3.55 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 1.06 0.00 0.00 53 G 8.45 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.92 4.52 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.71 0.00 0.00 55 W 8.63 5.08 0.00 1.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.05 5.10 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.66 0.00 57 C 9.37 5.21 0.00 3.33 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 58 S 9.19 4.33 0.00 4.09 4.06 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 59 Y 7.62 4.52 0.00 2.88 3.02 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 60 C 7.96 4.13 0.00 3.06 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 61 D 8.32 4.67 0.00 2.94 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 62 Y 7.52 4.39 0.00 3.17 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 63 K 8.54 5.03 0.00 1.74 1.59 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.30 7.81 64 F 8.95 5.01 0.00 3.01 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.86 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 66 G 8.23 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.56 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.45 3.98 0.00 3.13 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 69 Y 7.78 5.02 0.00 3.18 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 70 K 7.91 4.60 0.00 1.79 1.53 0.00 1.85 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.50 7.81 71 P 0.00 3.12 0.00 1.87 0.84 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 72 E 7.66 4.74 0.00 1.85 1.82 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 2.17 2.19 0.00 73 T 8.10 4.64 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 1.24 0.00 0.00 74 P 0.00 4.39 0.00 2.05 2.17 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 75 G 8.11 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 76 G 8.32 3.67 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 0.00 0.00 0.00 77 K 8.03 4.17 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.62 7.81 78 T 7.66 4.08 4.47 0.00 0.00 0.00 0.00 0.00 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 79 V 7.23 3.65 2.20 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 0.76 0.00 0.00 0.97 0.00 0.00 80 R 8.16 4.04 0.00 1.83 2.01 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 81 R 7.71 3.30 0.00 2.07 1.76 0.00 3.19 0.00 0.00 3.27 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 82 S 9.19 4.29 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00