NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4263 8.3049 120.3262 55.1279 33.6863 174.8111 5002 E 4.3574 8.1337 118.3566 53.3552 31.0177 174.0021 5003 P 4.2061 0.0000 0.0000 63.0391 32.8333 175.2987 5004 N 4.6095 8.5486 121.5808 52.3782 39.8592 173.0333 5005 P 4.3418 0.0000 0.0000 66.2103 31.9962 176.1043 5006 N 4.5532 7.9685 117.5672 53.1463 37.1420 174.7692 5007 R 4.6142 7.5160 113.5788 55.5949 31.6486 176.1750 5008 Q 3.8662 8.2377 115.8909 55.8157 29.0808 176.0048 5009 P 4.5502 0.0000 0.0000 62.2573 32.4697 175.3663 5010 V 4.4917 7.9800 117.4100 61.2246 34.1801 174.2144 5011 E 4.5332 8.3883 124.2859 54.2666 32.0855 175.3317 5012 L 4.1766 8.1820 127.7321 54.3818 43.1028 174.1111 5013 N 4.6947 8.5518 124.0855 51.8041 38.5772 176.4480 5014 R 3.7544 8.2318 118.9541 59.4746 30.2380 177.6146 5015 T 4.6600 7.8088 114.3602 65.8843 69.4983 176.5605 5016 S 3.7440 7.6784 114.5861 61.7629 62.2176 176.3279 5017 L 3.9856 7.9654 122.8856 58.2171 41.6932 178.5469 5018 Y 4.1128 8.6860 117.8745 60.8196 37.6629 178.6055 5019 L 4.1116 8.0441 119.6235 57.8112 42.0855 179.1114 5020 G 3.8976 8.5609 106.0140 48.2812 0.0000 175.5630 5021 L 4.0411 8.2179 121.4700 57.3629 41.8012 179.3739 5022 L 3.9841 8.2760 120.5469 57.6609 41.6906 178.9185 5023 L 4.0225 8.6078 121.2114 58.1918 42.0321 178.9465 5024 I 3.7821 7.7243 119.5092 64.4886 37.3032 178.2721 5025 L 3.9666 8.1866 120.0601 58.2896 41.3193 179.6674 5026 V 3.7392 7.5302 117.4427 65.3497 31.4775 177.6354 5027 L 4.1012 7.8691 118.0482 58.0744 41.6973 179.3695 5028 A 4.2866 8.3827 120.7310 55.5528 18.0711 179.5349 5029 L 4.0346 7.5823 116.5868 58.0301 42.1636 178.7038 5030 L 4.1838 8.5023 120.4217 58.3429 42.5626 178.7631 5031 F 4.2461 9.9925 119.1632 60.2101 38.7280 177.7121 5032 S 4.2807 8.4229 114.0946 61.8410 62.6576 176.6305 5033 S 4.2239 8.2908 119.0886 61.4110 62.6376 176.4982 5034 Y 4.2856 7.7759 117.7651 59.8902 37.4503 177.1493 5035 F 4.8146 8.3362 117.6825 58.3575 39.4148 176.4035 5036 F 4.7174 7.9741 116.4060 56.1871 40.1129 175.0042 5037 N 4.6125 7.7115 121.2451 54.0315 40.3615 173.3918 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 5001 M 8.30 4.43 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 5002 E 8.13 4.36 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5003 P 0.00 4.21 0.00 2.03 2.01 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 5004 N 8.55 4.61 0.00 2.66 2.70 0.00 0.00 7.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5005 P 0.00 4.34 0.00 2.21 2.16 0.00 3.84 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 1.98 1.98 0.00 5006 N 7.97 4.55 0.00 2.73 2.86 0.00 0.00 6.69 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5007 R 7.52 4.61 0.00 1.75 1.88 0.00 3.41 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5008 Q 8.24 3.87 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 5009 P 0.00 4.55 0.00 2.03 2.02 0.00 3.61 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 2.02 2.06 0.00 5010 V 7.98 4.49 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 0.80 0.00 0.00 0.92 0.00 0.00 5011 E 8.39 4.53 0.00 1.90 1.75 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 2.17 2.20 0.00 5012 L 8.18 4.18 0.00 1.58 1.50 0.90 0.99 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 5013 N 8.55 4.69 0.00 2.92 2.93 0.00 0.00 5.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5014 R 8.23 3.75 0.00 1.85 2.09 0.00 3.30 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 5015 T 7.81 4.66 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 5016 S 7.68 3.74 0.00 3.83 4.09 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 5017 L 7.97 3.99 0.00 1.70 1.60 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 5018 Y 8.69 4.11 0.00 3.19 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 5019 L 8.04 4.11 0.00 1.86 1.74 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 5020 G 8.56 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 5021 L 8.22 4.04 0.00 1.89 1.75 0.88 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 5022 L 8.28 3.98 0.00 1.82 1.86 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5023 L 8.61 4.02 0.00 1.77 1.90 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5024 I 7.72 3.78 1.88 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 1.52 0.74 0.92 0.00 0.00 5025 L 8.19 3.97 0.00 1.82 1.80 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5026 V 7.53 3.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.97 0.00 0.00 5027 L 7.87 4.10 0.00 1.69 1.66 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5028 A 8.38 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5029 L 7.58 4.03 0.00 1.90 1.95 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5030 L 8.50 4.18 0.00 1.79 2.15 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5031 F 9.99 4.25 0.00 3.08 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5032 S 8.42 4.28 0.00 4.33 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5033 S 8.29 4.22 0.00 3.42 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 5034 Y 7.78 4.29 0.00 2.83 2.80 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 0.00 0.00 0.00 5035 F 8.34 4.81 0.00 3.11 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5036 F 7.97 4.72 0.00 3.28 3.04 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 0.00 5037 N 7.71 4.61 0.00 3.08 2.86 0.00 0.00 7.00 7.44 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