NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4408 0.0000 0.0000 62.3601 32.6565 175.3417 2 I 3.9398 7.6652 111.1378 60.2972 38.6665 173.7124 3 C 4.8530 8.7127 122.7176 55.6994 43.6019 173.4796 4 T 4.4921 7.9367 120.4086 61.4723 70.8642 170.9386 5 N 5.0937 8.0232 118.4669 51.1853 40.9684 176.0757 6 C 4.0076 8.6419 115.9998 60.4714 40.8497 177.0649 7 C 4.4331 8.5332 117.7186 59.2419 42.9515 175.2457 8 A 3.6950 8.4408 120.0833 53.9466 18.4780 177.9292 9 G 3.2797 7.6448 105.2991 45.4036 0.0000 172.0626 10 Y 5.0138 8.5041 117.3828 55.9827 39.1735 175.8219 11 K 4.7890 8.1307 125.1466 57.7477 32.7633 177.2412 12 G 4.0815 10.8366 115.4006 45.0462 0.0000 171.9814 13 C 5.2639 8.3877 116.9995 55.1106 44.8266 172.7197 14 N 5.4182 9.0637 119.8185 51.7653 41.1969 173.3205 15 Y 4.9750 8.4091 120.0140 56.3806 41.0734 174.4944 16 Y 5.1430 8.6086 120.7278 55.8084 42.5992 175.6051 17 S 5.4523 9.3331 116.1749 56.9584 64.1908 175.2481 18 A 4.2282 8.5502 123.1283 55.1257 18.1009 178.1636 19 N 4.6455 8.2820 111.0027 53.4309 38.8447 175.9206 20 G 4.3241 8.5175 106.6088 44.7887 0.0000 173.5933 21 A 4.3557 7.8904 123.1936 51.1721 19.1542 177.4596 22 F 4.2890 8.9449 125.2508 58.2904 40.2996 174.2273 23 I 4.1093 7.7086 128.7962 62.3357 38.6134 173.1829 24 C 4.0908 6.5269 113.2654 54.5449 44.4041 171.8040 25 E 5.0758 8.7254 120.7103 54.4463 30.9667 175.8670 26 G 4.0472 9.1395 113.3974 47.1799 0.0000 173.6813 27 Q 4.7664 8.7509 118.5686 55.6373 31.1061 175.5791 28 S 4.6047 8.3156 117.0413 57.4440 64.8456 173.0436 29 D 5.0394 8.6165 124.0131 51.9440 41.5250 174.7174 30 P 4.3462 0.0000 0.0000 66.0942 31.2257 177.7450 31 K 4.1407 8.1727 117.2318 58.1768 32.7190 177.2829 32 K 4.6467 8.0862 118.6166 53.7652 31.9607 174.3303 33 P 4.3268 0.0000 0.0000 63.0573 32.1268 176.6702 34 K 4.4482 8.2794 119.7431 54.9653 34.7364 175.5570 35 A 4.2974 8.2225 122.9192 51.9857 19.1802 177.8504 36 C 5.0284 8.2666 118.8402 54.1837 44.4178 172.4742 37 P 4.5071 0.0000 0.0000 62.8953 31.8658 176.6496 38 L 4.7004 8.1509 119.2994 54.0985 41.9000 175.7133 39 N 4.8202 7.7279 114.9952 51.3518 39.9544 174.9761 40 C 4.5610 8.2881 116.4496 55.3758 39.6749 173.4557 41 D 4.5113 8.9204 126.0780 53.2128 41.3138 175.3751 42 P 4.2521 0.0000 0.0000 65.3404 31.8250 177.0040 43 H 4.5892 8.7517 116.7226 57.1853 29.1728 174.9440 44 I 4.4832 7.1371 120.0321 60.2689 37.5042 174.9863 45 A 4.8597 9.1032 127.3056 53.1951 22.1081 175.1933 46 Y 5.0218 7.3695 111.6223 56.4447 41.7576 173.6361 47 S 5.2965 8.7881 112.9175 57.0106 66.8306 173.4778 48 K 4.6868 9.0605 118.7739 55.1232 36.4246 175.2753 49 C 5.3110 8.7102 121.5123 53.3116 40.9568 171.8505 50 P 4.4894 0.0000 0.0000 62.7222 31.6294 177.2249 51 R 4.2216 8.3657 120.0199 56.4570 30.8582 175.2918 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 4.44 0.00 2.24 2.30 0.00 3.49 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 1.92 2.12 0.00 2 I 7.67 3.94 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 1.03 0.00 0.00 3 C 8.71 4.85 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.49 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 0.73 0.00 0.00 5 N 8.02 5.09 0.00 2.68 2.72 0.00 0.00 5.97 7.68 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 6 C 8.64 4.01 0.00 2.79 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 7 C 8.53 4.43 0.00 2.91 3.19 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 0.00 8 A 8.44 3.70 1.14 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 9 G 7.64 3.28 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 0.00 10 Y 8.50 5.01 0.00 3.24 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 11 K 8.13 4.79 0.00 1.95 1.81 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 12 G 10.84 4.08 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 0.00 0.00 0.00 13 C 8.39 5.26 0.00 2.97 2.53 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 0.00 0.00 0.00 0.00 14 N 9.06 5.42 0.00 2.81 2.52 0.00 0.00 6.75 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 15 Y 8.41 4.97 0.00 2.74 2.66 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 16 Y 8.61 5.14 0.00 1.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.33 5.45 0.00 3.99 4.01 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 0.00 0.00 0.00 18 A 8.55 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.65 0.00 2.78 2.91 0.00 0.00 7.04 7.65 0.00 0.00 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 G 8.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.36 1.34 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 22 F 8.94 4.29 0.00 2.98 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 23 I 7.71 4.11 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.75 0.00 0.00 24 C 6.53 4.09 0.00 2.78 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 E 8.73 5.08 0.00 2.22 1.99 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 2.30 2.59 0.00 26 G 9.14 4.05 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 0.00 0.00 0.00 27 Q 8.75 4.77 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 28 S 8.32 4.60 0.00 3.70 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 5.04 0.00 2.78 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 30 P 0.00 4.35 0.00 2.21 2.17 0.00 3.94 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 31 K 8.17 4.14 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.53 7.81 32 K 8.09 4.65 0.00 1.64 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 33 P 0.00 4.33 0.00 2.21 2.09 0.00 3.56 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 2.02 2.26 0.00 34 K 8.28 4.45 0.00 1.86 1.84 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.39 7.81 35 A 8.22 4.30 1.25 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 0.00 0.00 36 C 8.27 5.03 0.00 2.84 2.86 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 0.00 0.00 0.00 37 P 0.00 4.51 0.00 2.14 1.94 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 38 L 8.15 4.70 0.00 1.54 1.58 0.94 0.97 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 39 N 7.73 4.82 0.00 2.77 2.77 0.00 0.00 6.29 7.68 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 40 C 8.29 4.56 0.00 2.94 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 41 D 8.92 4.51 0.00 2.52 2.52 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 0.00 0.00 0.00 0.00 42 P 0.00 4.25 0.00 2.02 2.06 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 43 H 8.75 4.59 0.00 3.30 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.14 4.48 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.98 0.00 0.00 45 A 9.10 4.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 5.02 0.00 3.08 3.12 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 0.00 47 S 8.79 5.30 0.00 3.39 3.72 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 48 K 9.06 4.69 0.00 1.85 1.76 0.00 1.29 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.63 7.81 49 C 8.71 5.31 0.00 2.93 3.12 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 0.00 50 P 0.00 4.49 0.00 2.05 2.01 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 51 R 8.37 4.22 0.00 1.74 1.76 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00