NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3186 8.3144 120.1344 56.9947 33.5604 173.9277 5 E 4.4659 8.2312 117.7990 55.5031 32.1335 173.1485 6 T 4.5159 9.1772 121.2187 61.8238 71.3756 173.5063 7 K 4.5618 8.3166 125.8536 55.4855 34.0016 175.8219 8 H 4.4139 8.2732 118.2646 55.3125 32.6143 172.7725 9 L 4.4134 8.2994 129.4139 53.4975 42.2135 175.1547 10 L 4.7929 8.3070 126.4984 53.8864 42.4333 175.9756 11 K 4.6440 8.4468 119.5435 54.6971 35.3177 175.6925 12 I 4.6737 8.4233 123.5839 59.3899 40.1757 174.9187 13 K 4.6892 8.6563 122.8969 54.2108 33.5944 176.3580 14 K 2.7156 7.8511 116.7758 61.1372 32.9093 177.0994 15 E 3.9975 7.9548 122.0605 58.1894 30.7248 178.8387 16 D 4.1026 8.0284 118.8583 56.9212 41.2503 176.6874 17 Y 4.7036 8.1030 119.7249 54.3387 39.0584 173.9533 18 P 4.3661 0.0000 0.0000 65.7873 31.4454 178.0972 19 Q 4.3924 8.1796 117.7165 58.9208 28.4414 178.7635 20 I 3.7345 7.9324 121.7506 63.6747 37.1394 177.9347 21 F 4.0077 8.2843 121.2391 61.3085 39.1066 176.3611 22 D 4.4372 9.3007 117.7449 57.7289 41.2924 177.6625 23 F 4.2640 8.9840 121.0938 61.8813 37.7834 176.9629 24 L 3.4229 7.8790 117.8857 57.7444 41.3037 179.0359 25 E 3.6208 7.5768 115.7948 57.4592 29.5704 176.9294 26 N 4.8507 7.5739 114.7414 52.4048 40.7784 175.3863 27 V 3.5089 6.5489 118.3715 60.5609 31.9640 174.3615 28 P 4.1974 0.0000 0.0000 62.3260 31.5833 175.6146 29 R 3.9211 8.5018 119.8416 57.5590 29.2952 175.2495 30 G 3.4863 8.2439 112.5539 45.6126 0.0000 174.1110 31 T 4.5028 7.8777 116.2348 62.8755 70.0131 175.2791 32 K 3.7480 8.1064 121.9186 60.1778 32.0433 177.9493 33 T 3.8441 7.9433 114.5539 66.7385 68.4233 175.8732 34 A 3.9841 8.0882 121.8678 56.1251 18.2097 178.8419 35 H 4.1817 8.4276 114.4238 58.6408 28.7509 177.9078 36 I 3.7451 8.0492 121.2985 64.7393 37.1690 178.1502 37 R 3.8870 8.4761 119.6142 59.3947 29.8860 178.1030 38 E 3.8456 8.3945 118.8470 59.4342 29.7864 178.3233 39 A 4.0228 8.6691 121.4112 55.4277 18.1715 179.7662 40 L 4.0400 8.1474 117.1991 57.9837 41.4542 179.1908 41 R 3.8877 8.3063 119.1580 59.8373 29.8304 178.5289 42 R 4.7260 8.0915 118.5725 59.1215 30.0845 178.1725 43 Y 4.3967 7.8854 117.9098 61.0261 38.6105 178.4939 44 I 3.7085 7.8722 120.4420 63.9583 37.7161 177.4918 45 E 4.1048 7.7561 117.8841 59.2917 29.2223 180.4235 46 E 4.4447 8.2454 121.3472 54.4712 28.8519 176.4825 47 I 3.9375 9.2820 123.7408 61.5593 38.5255 174.7171 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 4 K 8.31 4.32 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 5 E 8.23 4.47 0.00 1.96 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 2.20 2.40 0.00 6 T 9.18 4.52 4.25 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 1.23 0.00 0.00 7 K 8.32 4.56 0.00 1.74 1.73 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 8 H 8.27 4.41 0.00 3.08 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.30 4.41 0.00 1.58 1.49 0.91 0.97 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 10 L 8.31 4.79 0.00 1.79 1.72 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.45 4.64 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.43 7.81 12 I 8.42 4.67 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.34 1.20 0.00 0.00 13 K 8.66 4.69 0.00 2.04 1.71 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.37 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.49 1.55 7.81 14 K 7.85 2.72 0.00 1.50 1.34 0.00 1.45 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.35 7.81 15 E 7.95 4.00 0.00 2.01 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 0.00 2.20 2.23 0.00 16 D 8.03 4.10 0.00 2.54 1.78 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 17 Y 8.10 4.70 0.00 3.02 2.86 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 18 P 0.00 4.37 0.00 2.30 2.29 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 19 Q 8.18 4.39 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 20 I 7.93 3.73 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.94 0.00 0.00 21 F 8.28 4.01 0.00 3.33 3.30 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 22 D 9.30 4.44 0.00 2.73 2.95 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 23 F 8.98 4.26 0.00 3.12 3.25 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 24 L 7.88 3.42 0.00 1.62 1.45 0.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.58 3.62 0.00 1.84 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 0.00 1.54 1.47 0.00 26 N 7.57 4.85 0.00 2.60 2.76 0.00 0.00 6.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.55 3.51 1.27 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 0.42 0.00 0.00 0.84 0.00 0.00 28 P 0.00 4.20 0.00 2.22 2.22 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 29 R 8.50 3.92 0.00 1.90 1.96 0.00 2.99 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 30 G 8.24 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.50 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 32 K 8.11 3.75 0.00 1.76 1.75 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 33 T 7.94 3.84 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 1.22 0.00 0.00 34 A 8.09 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.18 0.00 3.54 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.05 3.75 2.03 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 1.47 0.87 0.92 0.00 0.00 37 R 8.48 3.89 0.00 2.05 2.15 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 38 E 8.39 3.85 0.00 2.26 1.98 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 2.31 2.48 0.00 39 A 8.67 4.02 1.35 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 0.00 0.00 0.00 40 L 8.15 4.04 0.00 1.98 1.78 0.94 0.70 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 41 R 8.31 3.89 0.00 2.08 2.20 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 42 R 8.09 4.73 0.00 1.97 1.98 0.00 3.24 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 43 Y 7.89 4.40 0.00 2.99 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 44 I 7.87 3.71 1.99 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 1.53 0.90 0.85 0.00 0.00 45 E 7.76 4.10 0.00 2.18 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 2.47 2.32 0.00 46 E 8.25 4.44 0.00 1.98 2.05 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 2.33 2.30 0.00 47 I 9.28 3.94 1.86 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.18 0.77 0.00 0.00