NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0746 8.2549 117.2546 54.6365 30.6973 175.3764 2 P 3.8680 0.0000 0.0000 63.0475 32.4085 176.7023 3 D 4.4210 8.4108 122.0584 56.7955 42.1891 178.4960 4 F 4.3403 7.7868 114.3850 59.8360 38.0133 177.8632 5 C 4.7125 7.3795 117.8620 59.0839 40.0410 174.6021 6 L 4.2054 7.7143 118.7796 56.2615 41.8175 177.4098 7 E 4.1168 8.3308 119.3016 55.4552 29.8403 175.2614 8 P 4.3080 0.0000 0.0000 61.4037 32.1321 174.3522 9 P 3.4300 0.0000 0.0000 63.1708 31.0800 174.9290 10 Y 4.5819 7.9051 121.9631 56.1192 40.0074 175.3169 11 T 4.0372 8.0157 124.9367 66.3975 68.9942 175.0199 12 G 3.8004 7.0721 104.8907 43.5964 0.0000 171.5864 13 P 4.3610 0.0000 0.0000 64.7852 31.5348 177.7796 14 C 4.4624 7.9399 116.3348 57.1482 40.6304 173.5815 15 K 4.3424 8.2947 119.3580 56.3186 32.1722 176.7390 16 A 4.3426 7.6872 122.7369 51.4627 20.8415 178.7370 17 R 4.5025 8.1908 113.5173 55.0762 30.5998 173.9417 18 I 4.5016 8.5592 123.6470 58.9614 40.2751 174.3992 19 I 4.5217 8.1910 126.8358 60.6390 38.2362 175.1982 20 R 4.9403 8.9978 125.1753 54.6935 35.2038 173.3928 21 Y 6.1007 9.5088 116.9348 55.8317 41.3924 175.4774 22 F 5.5868 8.9152 117.3751 55.3806 42.1141 172.3366 23 Y 4.6605 9.2019 119.7970 56.0478 40.4875 175.1949 24 N 4.7452 7.7069 125.8275 51.2951 38.8514 174.4503 25 A 4.2115 8.7284 128.8780 54.9769 18.7927 179.2337 26 K 4.0692 8.1092 114.0038 58.8389 30.8435 177.8564 27 A 4.3561 7.8525 119.2464 51.1052 19.6594 177.2535 28 G 4.0575 8.1835 103.8066 45.5635 0.0000 173.4300 29 L 4.5459 6.5827 116.2388 54.1159 44.3328 173.6381 30 C 5.3846 8.5189 117.5784 56.5339 42.2752 173.0344 31 Q 4.7968 8.1005 121.3885 54.2475 32.6383 173.9119 32 T 5.1393 8.2618 109.4579 60.5612 71.4465 173.2790 33 F 4.9012 9.0827 117.0858 56.1505 42.0800 173.0591 34 V 4.3259 8.3509 119.7138 61.8589 32.0469 174.2126 35 Y 4.6859 8.6581 130.7017 56.2976 40.0589 176.6539 36 G 3.6075 8.1216 113.0906 46.7840 0.0000 174.7383 37 G 3.6155 5.9896 107.5136 45.5455 0.0000 172.4409 38 C 4.8828 7.0658 112.1304 54.4785 45.1950 173.4407 39 R 3.6909 8.6934 116.7888 57.4885 26.6849 175.6922 40 A 4.4862 7.8121 119.9023 51.9831 19.7523 176.7675 41 K 4.4744 8.0378 118.7658 54.5478 34.6974 176.9366 42 R 3.5764 7.9998 117.4423 58.5171 30.1655 177.3046 43 N 4.7930 7.5664 117.7245 50.9045 37.1752 172.4116 44 N 4.7819 6.8945 112.0572 52.9114 41.5655 172.9408 45 F 5.0101 9.5826 125.6400 55.6874 42.5270 176.7862 46 K 4.5004 8.9953 118.5756 57.5750 32.9904 177.6526 47 S 4.5177 7.6341 112.8866 55.6562 67.2110 174.6445 48 A 3.3398 7.3463 124.2921 54.5461 18.0851 179.9128 49 E 3.7176 7.7202 117.8387 59.3379 29.7406 178.3734 50 D 4.2188 7.7602 118.6309 57.6672 41.0218 177.7816 51 C 2.0000 7.4621 118.2992 59.5143 38.4554 175.7380 52 M 3.9462 7.8890 120.1578 58.2154 31.3184 179.0072 53 R 3.8550 8.1383 117.6374 59.4277 30.3257 179.0491 54 T 4.0864 7.8333 114.4512 66.4639 68.6936 175.4701 55 C 4.6879 7.4212 114.2226 54.9806 40.8120 173.8128 56 G 3.7656 7.4293 109.9183 46.5826 0.0000 174.4872 57 G 4.0150 8.8826 116.1667 46.3690 0.0000 172.5066 58 A 4.0736 7.7407 123.8402 52.1494 18.6506 177.7763 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 8.25 4.07 0.00 1.78 1.91 0.00 2.99 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 2 P 0.00 3.87 0.00 0.76 1.48 0.00 3.23 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 1.80 1.96 0.00 3 D 8.41 4.42 0.00 2.75 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 4 F 7.79 4.34 0.00 3.15 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.38 4.71 0.00 2.87 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 6 L 7.71 4.21 0.00 1.81 1.78 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.33 4.12 0.00 2.18 1.92 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 2.42 2.45 0.00 8 P 0.00 4.31 0.00 2.06 1.99 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.43 0.00 1.00 0.49 0.00 3.16 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 1.41 0.72 0.00 10 Y 7.91 4.58 0.00 2.81 2.94 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 11 T 8.02 4.04 4.09 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 0.00 0.00 0.00 1.14 0.00 0.00 12 G 7.07 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.19 2.21 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.94 4.46 0.00 2.83 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 15 K 8.29 4.34 0.00 1.67 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.30 7.81 16 A 7.69 4.34 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 17 R 8.19 4.50 0.00 1.72 1.74 0.00 3.17 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 18 I 8.56 4.50 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.38 0.95 0.00 0.00 19 I 8.19 4.52 1.81 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 1.26 0.44 0.71 0.00 0.00 20 R 9.00 4.94 0.00 0.80 1.87 0.00 3.48 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 21 Y 9.51 6.10 0.00 3.13 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 22 F 8.92 5.59 0.00 3.07 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 23 Y 9.20 4.66 0.00 3.11 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 24 N 7.71 4.75 0.00 2.32 2.43 0.00 0.00 6.69 7.42 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 25 A 8.73 4.21 1.47 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 0.00 0.00 0.00 26 K 8.11 4.07 0.00 1.76 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.41 7.81 27 A 7.85 4.36 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.18 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 0.00 0.00 0.00 29 L 6.58 4.55 0.00 1.64 1.67 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.52 5.38 0.00 2.88 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.80 0.00 1.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 32 T 8.26 5.14 3.99 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 0.56 0.00 0.00 33 F 9.08 4.90 0.00 3.08 3.35 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 34 V 8.35 4.33 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 0.72 0.00 0.00 0.88 0.00 0.00 35 Y 8.66 4.69 0.00 2.56 2.47 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 0.00 36 G 8.12 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 37 G 5.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.07 4.88 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 39 R 8.69 3.69 0.00 2.20 2.15 0.00 3.26 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 7.81 4.49 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.47 0.00 1.68 1.62 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.03 0.96 7.81 42 R 8.00 3.58 0.00 0.81 0.66 0.00 3.04 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 43 N 7.57 4.79 0.00 3.11 2.86 0.00 0.00 6.77 7.79 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 44 N 6.89 4.78 0.00 2.73 2.63 0.00 0.00 7.12 7.02 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 45 F 9.58 5.01 0.00 3.20 3.01 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 46 K 9.00 4.50 0.00 1.83 1.93 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 47 S 7.63 4.52 0.00 3.87 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 48 A 7.35 3.34 0.83 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 0.00 0.00 49 E 7.72 3.72 0.00 1.94 1.85 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 2.30 2.33 0.00 50 D 7.76 4.22 0.00 2.96 2.88 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 51 C 7.46 2.00 0.00 2.80 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 52 M 7.89 3.95 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 53 R 8.14 3.86 0.00 1.77 1.95 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 54 T 7.83 4.09 4.21 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 1.72 0.00 0.00 55 C 7.42 4.69 0.00 2.67 2.17 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 56 G 7.43 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 57 G 8.88 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 58 A 7.74 4.07 0.83 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 0.00 0.00