NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3335 8.1733 120.1339 56.1161 33.2600 176.4900 2 V 3.4863 8.2934 118.6081 63.0415 31.4594 176.6808 3 K 4.2173 8.9157 120.6359 59.4770 32.3249 178.0634 4 Q 3.9877 7.7796 118.1834 59.1736 28.6194 179.1605 5 L 4.0328 7.8572 119.4627 57.7098 41.7254 179.2663 6 E 3.9765 8.3068 117.6664 59.3840 29.5552 178.9875 7 D 4.3115 8.6843 120.1918 56.9906 40.7851 178.4515 8 A 3.9778 8.0329 121.3788 55.1081 18.3387 179.7199 9 V 3.5063 8.0056 116.9622 66.2340 31.6102 177.8186 10 E 3.9108 8.3334 118.9551 59.3565 29.3926 178.6130 11 E 3.9943 8.3538 118.6167 59.4290 29.4436 179.3111 12 L 4.0350 8.1954 119.1820 57.8684 41.6685 179.6459 13 L 4.0395 8.2524 119.0711 57.6158 41.6201 179.7425 14 S 4.0822 8.2335 115.0878 61.4482 62.8273 176.2751 15 A 4.0765 8.3488 123.8818 55.5572 18.0548 179.3330 16 N 4.3491 8.5291 115.4275 56.5302 38.9477 176.4130 17 Y 3.9939 8.2047 121.3027 61.2387 38.8536 178.0749 18 H 4.3119 8.2985 116.5193 58.5457 28.7473 177.6884 19 L 3.9533 8.0339 122.3951 58.1357 41.9590 178.8026 20 E 3.9239 8.4499 118.8949 59.4399 29.2965 179.0477 21 N 4.1738 8.0194 116.1841 56.2834 38.6319 177.3101 22 A 3.9522 8.1729 122.2105 55.1143 18.4415 179.8239 23 V 3.5081 7.9536 116.5722 66.0563 31.5847 178.1514 24 A 3.9665 8.0018 120.4846 55.1174 18.1876 179.6500 25 R 3.8424 8.1471 116.7812 59.6116 30.1796 179.3797 26 L 4.0220 8.0267 118.5244 57.7011 41.5833 179.6237 27 K 4.0506 8.4908 118.8940 59.4469 31.6968 179.5465 28 K 4.0357 7.8676 118.1194 59.3404 32.2535 179.1086 29 L 4.1496 7.7581 119.0519 57.5157 41.3254 179.4461 30 V 3.7569 8.1471 118.2193 65.6468 31.4134 177.2786 31 G 4.0115 7.4670 102.6630 44.5869 0.0000 173.2217 32 E 4.1195 7.8588 126.9765 56.1631 29.6463 176.4758 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 K 8.17 4.33 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.41 7.81 2 V 8.29 3.49 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 0.80 0.00 0.00 0.93 0.00 0.00 3 K 8.92 4.22 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.35 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.67 7.81 4 Q 7.78 3.99 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 5 L 7.86 4.03 0.00 1.86 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.31 3.98 0.00 2.21 2.20 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 2.45 2.34 0.00 7 D 8.68 4.31 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 10 E 8.33 3.91 0.00 2.15 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 0.00 2.29 2.34 0.00 11 E 8.35 3.99 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 2.33 2.70 0.00 12 L 8.20 4.04 0.00 1.85 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.25 4.04 0.00 1.83 1.73 0.93 0.89 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 14 S 8.23 4.08 0.00 4.07 3.94 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 15 A 8.35 4.08 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.53 4.35 0.00 3.01 2.87 0.00 0.00 6.91 8.14 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 17 Y 8.20 3.99 0.00 3.18 3.07 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 0.00 0.00 0.00 0.00 18 H 8.30 4.31 0.00 3.33 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.03 3.95 0.00 1.92 1.85 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.45 3.92 0.00 2.07 1.88 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 2.30 2.51 0.00 21 N 8.02 4.17 0.00 2.87 2.80 0.00 0.00 6.93 7.19 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 22 A 8.17 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 24 A 8.00 3.97 1.33 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 0.00 0.00 25 R 8.15 3.84 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 26 L 8.03 4.02 0.00 1.69 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.49 4.05 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 K 7.87 4.04 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.61 7.81 29 L 7.76 4.15 0.00 1.82 1.70 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.15 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 31 G 7.47 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 0.00 0.00 0.00 32 E 7.86 4.12 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00