NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5852 8.2227 120.3083 53.0225 41.1523 175.9104 2 H 3.6503 8.5232 118.0041 58.6298 29.5201 174.9763 3 Y 3.7463 8.7158 122.0834 60.8953 39.1116 177.3380 4 N 4.3762 8.8645 117.5681 56.1064 38.5035 176.4851 5 C 4.0787 8.3670 120.3904 59.8381 41.0358 175.9594 6 V 3.6774 7.5757 120.9132 65.6482 30.8894 178.2173 7 S 4.0449 7.7393 113.9703 60.8204 62.6502 175.7583 8 S 4.5571 7.7749 114.7511 58.1253 63.1496 174.7837 9 G 3.7943 7.9860 110.6717 45.5633 0.0000 173.3350 10 G 4.1688 8.1305 107.9305 44.4380 0.0000 172.7751 11 Q 4.7327 8.7743 117.1266 54.2414 33.3871 174.2166 12 C 5.0903 8.7251 119.1926 56.4576 39.9495 173.1351 13 L 4.9992 8.8251 122.0935 53.5193 45.6941 176.8103 14 Y 4.3334 8.9610 118.1470 58.1414 38.6796 175.3120 15 S 4.8509 7.5712 114.3437 55.8783 65.8184 173.3702 16 A 4.1259 8.3057 122.3328 52.3577 18.6005 178.3269 17 C 4.3281 8.4578 118.0331 56.1589 40.4946 172.4508 18 P 4.3598 0.0000 0.0000 62.6254 31.4440 177.4139 19 I 3.6153 8.3109 120.9092 63.8161 38.0116 176.6505 20 F 4.6545 7.9932 112.9673 56.9968 38.0912 174.4213 21 T 4.6482 7.5913 111.1220 60.0271 71.8356 172.7281 22 R 4.7156 7.7970 118.4139 53.9982 34.8966 174.7277 23 I 4.2820 8.3721 121.4878 61.7232 38.1989 175.5130 24 Q 4.4878 10.4697 126.4177 54.9146 30.8651 176.5697 25 G 3.7837 6.7800 105.2755 45.7851 0.0000 170.9075 26 T 4.9363 7.8632 109.7612 60.0503 71.8537 173.1554 27 C 4.6742 8.1684 117.7864 56.1064 44.0069 173.1274 28 Y 3.8957 8.6458 116.2089 59.9257 34.1357 170.7527 29 R 3.7281 8.7786 111.3492 57.3849 28.1266 178.3870 30 G 3.9928 8.5382 104.9533 45.7837 0.0000 175.2072 31 R 4.2140 8.0109 117.3655 56.8813 30.8951 175.7243 32 A 4.6852 8.0469 119.8372 49.7641 22.5437 175.1075 33 R 4.9209 8.5955 115.3150 54.5631 32.7610 174.2394 34 C 4.9306 8.9667 122.4626 55.9437 45.4755 171.4655 35 C 5.4950 9.1715 124.0486 55.2461 43.1582 174.1560 36 R 4.1641 8.4765 122.2915 56.8135 29.6025 174.4427 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 D 8.22 4.59 0.00 2.90 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 2 H 8.52 3.65 0.00 2.40 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.72 3.75 0.00 3.11 2.92 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 0.00 0.00 0.00 4 N 8.86 4.38 0.00 2.87 2.86 0.00 0.00 6.70 8.28 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 5 C 8.37 4.08 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.68 1.79 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 1.01 0.00 0.00 0.86 0.00 0.00 7 S 7.74 4.04 0.00 3.89 3.79 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 0.00 0.00 0.00 0.00 8 S 7.77 4.56 0.00 4.01 3.93 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 9 G 7.99 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.13 4.17 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 0.00 0.00 0.00 11 Q 8.77 4.73 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 12 C 8.73 5.09 0.00 2.87 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 13 L 8.83 5.00 0.00 1.47 1.49 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.96 4.33 0.00 2.97 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 15 S 7.57 4.85 0.00 3.97 3.92 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 0.00 0.00 0.00 16 A 8.31 4.13 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 17 C 8.46 4.33 0.00 2.89 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 18 P 0.00 4.36 0.00 1.27 1.79 0.00 3.37 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 19 I 8.31 3.62 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 1.05 0.00 0.00 20 F 7.99 4.65 0.00 3.15 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 21 T 7.59 4.65 4.04 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 0.54 0.00 0.00 22 R 7.80 4.72 0.00 1.65 1.75 0.00 3.27 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 23 I 8.37 4.28 1.83 0.00 0.00 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 1.31 0.91 0.88 0.00 0.00 24 Q 10.47 4.49 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 25 G 6.78 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 0.00 0.00 0.00 26 T 7.86 4.94 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 C 8.17 4.67 0.00 2.58 2.15 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 28 Y 8.65 3.90 0.00 3.22 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 29 R 8.78 3.73 0.00 2.05 2.07 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 30 G 8.54 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 0.00 0.00 0.00 0.00 31 R 8.01 4.21 0.00 2.18 2.21 0.00 3.21 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 32 A 8.05 4.69 0.53 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 0.00 0.00 33 R 8.60 4.92 0.00 1.77 1.95 0.00 2.94 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 34 C 8.97 4.93 0.00 2.89 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 35 C 9.17 5.50 0.00 2.73 2.79 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 0.00 0.00 0.00 0.00 36 R 8.48 4.16 0.00 1.75 1.69 0.00 3.31 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00