NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1457 8.0093 114.2948 61.3656 39.0472 177.6768 2 M 2.6244 9.3024 122.7441 55.5798 32.7980 176.6106 3 F 3.9666 10.2278 124.5136 58.3426 40.7187 175.8589 4 F 4.3080 7.6736 121.6703 57.2964 42.6759 173.5956 5 E 5.5028 8.4754 121.5962 56.5748 31.1742 174.4387 6 M 4.9056 7.7276 118.6032 57.0487 36.2700 173.8468 7 Q 4.4516 8.8233 119.1570 56.8600 31.6862 173.4540 8 A 4.3308 8.2820 123.1338 50.8282 19.3256 175.8708 9 C 4.6205 7.2720 110.4069 54.9178 41.8749 176.1689 10 W 4.0640 7.7309 121.9420 60.0660 28.9472 177.4598 11 S 4.3861 8.1490 112.0383 61.0439 62.1775 174.3273 12 H 4.5835 8.1118 113.4047 54.8956 28.7104 176.7548 13 S 3.5375 8.1982 116.7218 59.6436 62.4902 171.0278 14 G 3.8497 7.3893 105.5764 46.0543 0.0000 172.2027 15 V 4.1727 7.5372 120.1386 60.9011 32.6912 174.1905 16 C 4.9278 8.6159 126.1955 56.4561 44.8462 171.3775 17 R 4.5428 8.4004 129.0380 54.9565 33.7510 173.0255 18 D 5.2552 8.5405 116.1189 53.2471 41.9484 178.3289 19 K 4.0093 8.3928 125.4492 58.9274 32.2036 177.5165 20 S 4.7011 7.6756 112.5318 57.6856 62.7215 173.4141 21 E 4.2743 7.9280 119.3460 55.8636 30.1134 176.0131 22 R 4.6646 8.3070 117.3732 55.8331 30.6430 176.5567 23 N 4.8960 7.7559 115.4433 53.1781 39.3058 174.4723 24 C 4.6134 8.1874 115.5437 54.9186 44.9112 172.8513 25 K 4.4232 8.1128 124.8845 53.8783 33.3832 174.2691 26 P 4.3374 0.0000 0.0000 62.7956 29.5507 175.8512 27 M 4.1782 8.1749 123.3370 55.8499 32.0448 175.2649 28 A 4.8456 7.6831 121.3781 49.2406 22.1782 176.8956 29 W 4.5547 8.9801 115.7956 59.8941 27.8338 177.2846 30 T 3.5281 5.9145 106.9709 61.2741 68.7383 172.7790 31 Y 4.7623 7.6168 120.3083 55.7320 40.7355 173.9826 32 C 4.0550 8.1658 118.9794 56.0810 44.4805 172.6473 33 E 5.2019 7.7247 128.2781 56.7839 32.5028 176.6653 34 N 4.8252 7.4712 116.9264 52.3706 40.0213 175.6753 35 R 4.1099 8.5057 122.7442 58.1599 30.7397 177.0812 36 N 4.6045 8.2440 116.1057 54.4529 39.7233 173.9805 37 Q 5.2594 7.9893 116.9480 53.8019 32.6180 174.7679 38 K 4.7106 8.8529 120.8026 55.2120 36.6055 174.5381 39 C 4.4562 8.5755 121.2683 55.8105 45.4772 173.7860 40 C 4.7819 8.7133 125.1157 55.4111 42.3620 172.6024 41 E 4.2860 8.7057 121.3003 56.7271 29.5567 176.2580 42 Y 4.3736 8.7449 124.4364 57.2909 37.7862 176.3491 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 I 8.01 4.15 1.97 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 1.65 1.41 0.97 0.00 0.00 2 M 9.30 2.62 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 3 F 10.23 3.97 0.00 2.93 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 4 F 7.67 4.31 0.00 3.20 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 5 E 8.48 5.50 0.00 1.86 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 1.95 2.12 0.00 6 M 7.73 4.91 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 7 Q 8.82 4.45 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 8 A 8.28 4.33 -0.25 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 9 C 7.27 4.62 0.00 2.97 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 10 W 7.73 4.06 0.00 3.46 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 11 S 8.15 4.39 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.11 4.58 0.00 3.04 3.22 0.00 6.10 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.20 3.54 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.39 3.85 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 0.00 0.00 0.00 15 V 7.54 4.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 16 C 8.62 4.93 0.00 2.98 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 17 R 8.40 4.54 0.00 1.89 1.73 0.00 3.14 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 18 D 8.54 5.26 0.00 2.84 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 19 K 8.39 4.01 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 20 S 7.68 4.70 0.00 3.80 3.81 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 21 E 7.93 4.27 0.00 2.20 1.84 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 2.31 2.41 0.00 22 R 8.31 4.66 0.00 1.77 1.87 0.00 3.30 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 23 N 7.76 4.90 0.00 2.61 2.70 0.00 0.00 7.03 7.64 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 24 C 8.19 4.61 0.00 2.95 2.93 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 0.00 0.00 0.00 25 K 8.11 4.42 0.00 1.79 1.62 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.40 7.81 26 P 0.00 4.34 0.00 2.14 2.11 0.00 3.70 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 1.92 1.93 0.00 27 M 8.17 4.18 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 28 A 7.68 4.85 1.05 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 29 W 8.98 4.55 0.00 3.58 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 T 5.91 3.53 3.47 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 -0.90 0.00 0.00 31 Y 7.62 4.76 0.00 3.07 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 32 C 8.17 4.05 0.00 2.92 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 33 E 7.72 5.20 0.00 2.00 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 2.19 2.27 0.00 34 N 7.47 4.83 0.00 2.89 2.69 0.00 0.00 7.21 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 35 R 8.51 4.11 0.00 1.85 1.96 0.00 3.38 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 36 N 8.24 4.60 0.00 2.81 2.81 0.00 0.00 6.99 6.69 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 37 Q 7.99 5.26 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 38 K 8.85 4.71 0.00 1.79 1.87 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.34 7.81 39 C 8.58 4.46 0.00 2.75 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 40 C 8.71 4.78 0.00 3.11 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 41 E 8.71 4.29 0.00 1.92 1.68 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 2.13 1.98 0.00 42 Y 8.74 4.37 0.00 3.13 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