NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3700 8.2644 123.5810 51.9411 20.8393 176.9111 2 K 4.4423 8.4962 112.9523 56.9629 37.9215 174.4722 3 G 4.2279 8.9266 110.8135 45.5510 0.0000 173.2098 4 I 4.4573 8.2446 118.8684 62.9924 40.1376 177.0596 5 R 4.2661 7.9486 112.4308 56.6872 29.6061 176.2509 6 E 4.0724 7.3989 118.6858 56.0687 30.1871 176.1079 7 K 4.4894 8.4852 123.7220 56.2876 32.7670 176.4210 8 I 4.6419 8.6040 118.4377 58.8613 41.2054 174.4941 9 K 4.6876 8.4953 122.3393 55.3243 33.3087 176.3119 10 L 4.5628 8.3113 124.2346 52.5701 43.9859 176.2161 11 V 3.6528 8.3101 124.6705 62.9356 32.7415 174.7334 12 S 5.0898 9.0409 124.3893 56.4154 62.3995 171.9306 13 S 5.1517 8.4429 117.9958 57.0443 64.2600 174.2480 14 A 3.5435 8.5108 125.3001 52.1774 18.4115 177.8183 15 G 3.8375 8.5734 107.2031 47.5339 0.0000 175.1521 16 T 4.4462 7.8566 106.3022 61.3618 70.7888 174.7545 17 G 3.9214 7.9688 107.7681 44.8933 0.0000 173.0428 18 H 4.5275 7.8153 122.3977 57.4123 27.4399 174.8123 19 F 3.8375 7.1526 119.3698 55.6421 40.1386 173.5698 20 Y 5.4984 7.2152 123.8381 55.7553 41.1708 174.2211 21 T 4.7256 8.5029 114.4789 61.9257 71.8301 171.5210 22 T 4.0730 7.7615 115.3572 63.0840 69.6654 170.6637 23 T 3.8435 8.7109 126.0777 61.3557 71.9083 172.4642 24 K 4.5500 8.1283 123.8662 55.8169 35.7446 174.3599 25 N 5.0306 8.7948 127.0680 52.7703 42.7903 171.9573 26 K 4.9654 8.2290 118.5075 55.2879 35.6573 178.1143 27 R 4.0892 8.8994 123.2580 57.4602 29.8390 177.5342 28 T 3.9390 7.4749 109.9280 64.5315 68.6516 174.4954 29 K 4.5963 7.5087 119.4090 52.6930 34.7129 174.2533 30 P 4.3889 0.0000 0.0000 63.2640 31.6157 176.5038 31 E 4.5376 8.4492 118.9478 56.7225 31.0939 177.4862 32 K 4.5579 7.9386 115.5654 56.3531 31.4480 177.0689 33 L 4.7846 7.8701 116.1289 54.0652 42.7286 175.9309 34 E 4.6752 7.7905 115.5789 54.8604 32.2998 173.9408 35 L 4.4105 7.8907 119.4623 55.3008 43.3991 174.0370 36 K 4.2238 7.8546 116.7353 55.6681 35.4487 175.8920 37 K 4.4802 7.7727 116.9050 56.6487 33.6699 176.3505 38 F 4.4132 7.6067 118.2987 57.8679 39.6009 174.4350 39 D 4.4778 8.5029 120.8232 52.0467 42.2504 173.9411 40 P 4.2196 0.0000 0.0000 64.5313 31.3470 177.0854 41 V 3.8097 8.2537 118.5995 62.0401 31.9869 178.1974 42 V 3.4046 8.0229 117.1175 64.5083 32.2756 172.8774 43 R 3.9358 7.8662 119.5275 59.0581 29.7710 176.5197 44 Q 4.2370 7.8009 117.8492 55.1390 31.4272 173.2400 45 H 4.5111 8.7863 124.0620 56.4715 28.7111 174.3745 46 V 4.5137 8.1377 123.6891 61.8590 34.8378 175.1663 47 I 4.4698 7.3629 113.2471 59.1021 40.3148 174.2229 48 Y 4.7885 8.4533 124.1934 56.6415 39.2416 174.7644 49 K 3.8277 8.9137 127.5939 57.6919 33.2384 178.0123 50 E 3.0143 7.3530 118.2791 56.9914 28.4194 174.6397 51 A 4.5243 8.0675 124.3146 53.3457 18.2148 178.4962 52 K 4.4067 7.4858 113.9016 55.0184 34.8934 176.5880 53 I 3.3001 8.7339 116.9464 61.1870 36.9316 173.3533 54 K 4.1886 7.4255 124.7495 56.4822 33.5839 174.4413 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 A 8.26 4.37 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.44 0.00 1.64 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3 G 8.93 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.91 0.00 0.00 5 R 7.95 4.27 0.00 1.91 2.04 0.00 3.04 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 6 E 7.40 4.07 0.00 1.99 1.89 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 2.32 2.28 0.00 7 K 8.49 4.49 0.00 1.68 1.75 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 I 8.60 4.64 1.86 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 1.22 0.61 0.92 0.00 0.00 9 K 8.50 4.69 0.00 1.63 1.77 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 10 L 8.31 4.56 0.00 1.55 1.54 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.31 3.65 1.97 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 0.64 0.00 0.00 0.83 0.00 0.00 12 S 9.04 5.09 0.00 4.00 3.95 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 13 S 8.44 5.15 0.00 4.30 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 14 A 8.51 3.54 1.15 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 0.00 0.00 15 G 8.57 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.86 4.45 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 1.20 0.00 0.00 17 G 7.97 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 0.00 0.00 0.00 18 H 7.82 4.53 0.00 3.38 3.45 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.15 3.84 0.00 2.96 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 Y 7.22 5.50 0.00 2.90 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 21 T 8.50 4.73 4.35 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 1.40 0.00 0.00 22 T 7.76 4.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 23 T 8.71 3.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 24 K 8.13 4.55 0.00 1.76 1.64 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 25 N 8.79 5.03 0.00 2.77 2.61 0.00 0.00 6.16 6.38 0.00 0.00 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 8.23 4.97 0.00 1.77 1.57 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.51 7.81 27 R 8.90 4.09 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 28 T 7.47 3.94 4.24 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 1.21 0.00 0.00 29 K 7.51 4.60 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 30 P 0.00 4.39 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 31 E 8.45 4.54 0.00 1.91 1.95 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 2.28 2.31 0.00 32 K 7.94 4.56 0.00 1.73 1.81 0.00 1.72 0.00 0.00 0.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 33 L 7.87 4.78 0.00 1.56 1.61 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.79 4.68 0.00 1.91 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 2.11 2.19 0.00 35 L 7.89 4.41 0.00 1.74 1.56 0.87 0.35 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 36 K 7.85 4.22 0.00 1.08 0.74 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.96 1.05 7.81 37 K 7.77 4.48 0.00 1.94 2.00 0.00 1.58 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.54 7.81 38 F 7.61 4.41 0.00 3.24 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 39 D 8.50 4.48 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 1.98 2.27 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 41 V 8.25 3.81 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 0.94 0.00 0.00 0.87 0.00 0.00 42 V 8.02 3.40 2.03 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 0.70 0.00 0.00 0.95 0.00 0.00 43 R 7.87 3.94 0.00 1.87 1.94 0.00 3.33 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 44 Q 7.80 4.24 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 45 H 8.79 4.51 0.00 3.24 3.37 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.14 4.51 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 0.77 0.00 0.00 0.95 0.00 0.00 47 I 7.36 4.47 1.91 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 1.32 0.46 0.93 0.00 0.00 48 Y 8.45 4.79 0.00 2.90 2.68 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 0.00 0.00 0.00 49 K 8.91 3.83 0.00 2.03 2.12 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.68 7.81 50 E 7.35 3.01 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.02 0.00 51 A 8.07 4.52 1.30 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 0.00 0.00 0.00 52 K 7.49 4.41 0.00 1.69 1.73 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.35 7.81 53 I 8.73 3.30 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.90 0.00 0.00 54 K 7.43 4.19 0.00 2.11 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.48 7.81