NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9691 8.3549 109.7363 44.7885 0.0000 175.2968 2 S 4.4177 8.2955 116.1442 54.0748 63.9664 170.6618 3 S 4.3792 7.8341 112.9706 56.9731 66.0013 176.0612 4 G 3.6491 8.7251 116.7254 45.5729 0.0000 172.3802 5 S 4.1766 8.4428 122.1729 57.9503 62.5907 174.5269 6 S 4.0384 8.1344 120.5855 57.8902 63.2982 175.0472 7 G 4.4435 7.8622 109.8034 45.1892 0.0000 172.7325 8 I 3.8584 8.1853 120.1849 60.1506 38.4260 176.3679 9 K 4.5168 8.4499 121.3636 55.5318 34.4563 175.0676 10 Q 4.8626 8.7416 124.7356 54.0855 31.5658 174.4419 11 H 5.1086 8.6012 119.1384 53.4269 31.2456 174.6765 12 C 4.4215 9.0395 125.0219 58.7943 29.2077 173.6690 13 R 3.6946 7.4340 123.1517 59.2696 30.5172 176.9290 14 F 4.4445 7.2992 115.4198 60.6453 38.7933 175.9467 15 C 4.6946 8.2595 110.7844 56.9477 30.0730 173.4123 16 K 3.7792 8.2428 118.4712 58.0120 29.7533 174.4717 17 K 4.5895 7.7431 116.4851 54.8459 35.6758 176.1983 18 K 4.9997 8.0152 119.2313 55.0229 35.4574 175.9194 19 Y 4.5435 8.3821 121.4707 56.2332 40.4529 175.2451 20 S 4.1192 9.3709 119.8940 61.3378 63.2852 174.1530 21 D 4.7065 7.9556 123.1644 52.0676 41.6105 177.3644 22 V 3.6150 8.8262 125.4528 65.3408 30.8078 178.2951 23 K 3.9523 8.1817 118.7095 59.4651 31.8284 178.5144 24 N 4.3022 8.3779 116.6411 55.8121 38.4788 177.0885 25 L 3.2309 8.0944 122.2003 58.0856 42.1665 179.1088 26 I 3.6865 7.6128 118.8934 64.5372 36.8833 178.4757 27 K 3.9702 7.6706 118.9824 59.5905 31.8016 178.9731 28 H 4.1295 8.3798 119.0886 59.3442 29.6379 177.2087 29 I 3.6679 7.8519 121.9918 64.1364 36.8630 178.4203 30 R 3.8997 7.9531 116.7998 58.7916 29.1273 177.7593 31 D 4.5312 7.3833 118.4341 57.0115 41.6082 177.2742 32 A 4.2254 8.1133 120.1915 54.8448 19.0043 178.9280 33 H 3.9902 7.5792 115.7861 55.2016 30.2699 175.3357 34 D 4.2913 8.5124 120.1667 54.8952 39.8796 172.9134 35 P 4.2886 0.0000 0.0000 65.8707 32.1697 177.8884 36 Q 3.9755 8.1481 116.0582 58.7698 28.3355 176.4737 37 D 4.4316 7.6306 120.5659 54.1600 41.1829 175.4608 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 G 8.35 3.97 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 0.00 0.00 0.00 2 S 8.30 4.42 0.00 3.90 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 3 S 7.83 4.38 0.00 3.76 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 4 G 8.73 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.44 4.18 0.00 3.87 3.86 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 6 S 8.13 4.04 0.00 3.97 3.91 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 7 G 7.86 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.19 3.86 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.92 0.00 0.00 9 K 8.45 4.52 0.00 1.73 1.83 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 10 Q 8.74 4.86 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 11 H 8.60 5.11 0.00 3.15 3.21 0.00 5.55 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 12 C 9.04 4.42 0.00 3.28 3.09 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 0.00 13 R 7.43 3.69 0.00 1.52 1.44 0.00 3.34 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 14 F 7.30 4.44 0.00 2.88 2.74 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 15 C 8.26 4.69 0.00 3.19 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 16 K 8.24 3.78 0.00 1.88 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.55 7.81 17 K 7.74 4.59 0.00 1.81 1.51 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 18 K 8.02 5.00 0.00 1.45 1.59 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.39 7.81 19 Y 8.38 4.54 0.00 2.81 2.83 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 20 S 9.37 4.12 0.00 4.00 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 21 D 7.96 4.71 0.00 3.01 2.67 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 22 V 8.83 3.62 2.10 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 0.94 0.00 0.00 0.93 0.00 0.00 23 K 8.18 3.95 0.00 1.78 1.94 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.53 7.81 24 N 8.38 4.30 0.00 3.05 2.82 0.00 0.00 6.65 7.00 0.00 0.00 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 L 8.09 3.23 0.00 1.65 1.86 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.61 3.69 1.84 0.00 0.00 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 1.63 0.62 0.90 0.00 0.00 27 K 7.67 3.97 0.00 1.86 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.55 7.81 28 H 8.38 4.13 0.00 2.85 3.08 0.00 5.78 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 29 I 7.85 3.67 2.03 0.00 0.00 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 1.98 0.81 0.88 0.00 0.00 30 R 7.95 3.90 0.00 1.94 2.06 0.00 3.03 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 31 D 7.38 4.53 0.00 2.86 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 32 A 8.11 4.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.58 3.99 0.00 2.89 2.94 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.51 4.29 0.00 2.82 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 35 P 0.00 4.29 0.00 2.08 1.88 0.00 3.73 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.46 0.00 36 Q 8.15 3.98 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 37 D 7.63 4.43 0.00 2.84 2.74 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