NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5873 8.2076 120.1961 54.3134 43.4558 177.2401 2 Y 4.0872 8.2769 118.0619 59.6998 37.4173 177.1408 3 L 3.6442 6.9327 120.4763 57.4581 42.0668 180.3039 4 R 3.8163 7.7977 118.1124 59.5360 29.7616 177.9914 5 E 3.9624 7.8760 117.5723 59.0060 29.6702 178.5758 6 L 4.1647 7.9494 118.4473 57.8026 41.6846 179.0279 7 L 4.3512 8.1449 119.0788 56.6443 41.9144 177.1408 8 K 4.4029 8.5314 122.9149 56.7137 30.9468 174.7748 9 G 3.6644 8.5521 120.7385 45.2187 0.0000 173.0468 10 E 4.0342 7.7167 122.0044 59.3521 29.1591 179.0368 11 L 4.0472 7.8826 118.9148 58.3109 40.4631 178.5121 12 Q 4.2211 7.7883 117.2663 57.1046 28.8118 177.2987 13 G 3.5747 7.5700 106.4439 46.5015 0.0000 175.5248 14 I 3.8822 7.7461 123.1021 64.3697 36.8632 178.7410 15 K 4.0549 7.7576 118.6547 59.3687 31.8181 179.6335 16 Q 3.9988 7.8358 118.0437 59.1110 28.1739 178.0546 17 Y 4.3745 7.9941 118.1111 61.2869 37.6664 178.9545 18 R 4.0300 7.7681 117.9953 59.0064 30.4125 178.3210 19 E 4.1534 8.0110 117.8217 58.9116 29.6386 178.4664 20 A 4.1699 8.1323 120.9673 55.0246 18.3442 179.2825 21 L 4.1272 7.6993 119.2158 57.5918 41.8225 179.0262 22 E 3.7794 8.0195 117.7999 58.8281 29.3082 178.1792 23 Y 4.3200 7.8618 115.6923 60.5233 38.8320 177.4838 24 T 4.0974 8.3730 110.8639 63.0775 69.6919 174.6053 25 H 4.2393 8.1568 117.1111 57.0515 26.7071 174.1397 26 N 5.1375 7.5532 114.7809 50.7161 42.0398 174.4892 27 P 4.1886 0.0000 0.0000 64.5163 32.1780 178.8212 28 V 3.5875 7.7451 119.9764 64.8963 31.2460 178.1162 29 L 3.8306 7.5337 119.0401 57.0582 41.0732 178.5237 30 A 4.3116 7.3835 118.2407 52.3170 18.5045 177.7593 31 K 4.2714 7.5005 119.6024 58.8659 34.7795 178.2865 32 I 3.5608 7.5371 120.3263 64.2183 36.8686 178.3825 33 L 3.9834 7.9906 120.8650 58.6084 40.8083 178.8763 34 E 3.8272 8.0501 120.0603 59.2349 29.4298 178.2783 35 D 4.0741 7.7118 118.1896 56.9126 40.8860 178.5636 36 E 3.7452 7.9633 118.9182 59.2337 29.1396 179.0606 37 E 3.9754 7.6395 118.2553 58.7256 29.8993 178.6297 38 K 3.6554 6.8443 117.9173 59.0710 32.1598 178.5596 39 H 4.3110 7.8620 116.5671 59.2945 28.6548 177.5776 40 I 3.7036 7.2558 121.1385 64.7246 36.9622 178.5306 41 E 4.0761 8.1089 118.6305 58.8205 29.0932 179.0887 42 W 4.5623 8.5778 119.3817 60.0941 29.1435 178.1856 43 L 4.2343 8.2123 119.2374 58.4921 40.1440 178.7420 44 E 3.8718 8.4821 120.6275 59.4273 29.1298 178.7666 45 T 4.0327 8.3371 116.1405 66.6723 68.2238 176.5997 46 I 3.7741 7.1815 121.1149 64.0722 37.2020 178.0783 47 L 4.2413 7.5212 118.1968 57.8940 40.2921 177.3366 48 G 3.7298 7.6173 113.0409 45.8060 0.0000 173.3246 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 8.21 4.59 0.00 2.80 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 2 Y 8.28 4.09 0.00 3.29 3.20 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 0.00 0.00 0.00 3 L 6.93 3.64 0.00 1.36 1.52 0.68 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.80 3.82 0.00 1.82 2.07 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 7.88 3.96 0.00 2.05 2.19 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 0.00 2.36 2.43 0.00 6 L 7.95 4.16 0.00 1.92 1.74 1.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.14 4.35 0.00 1.66 1.72 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.53 4.40 0.00 1.66 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 9 G 8.55 3.66 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 0.00 0.00 0.00 10 E 7.72 4.03 0.00 1.97 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 2.37 2.52 0.00 11 L 7.88 4.05 0.00 1.90 1.92 0.91 0.52 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 12 Q 7.79 4.22 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 13 G 7.57 3.57 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 0.00 0.00 0.00 14 I 7.75 3.88 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 1.54 1.59 0.92 0.00 0.00 15 K 7.76 4.05 0.00 1.91 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 16 Q 7.84 4.00 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 17 Y 7.99 4.37 0.00 3.15 2.90 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 18 R 7.77 4.03 0.00 1.89 2.02 0.00 3.16 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 19 E 8.01 4.15 0.00 2.11 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 0.00 2.41 2.37 0.00 20 A 8.13 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.13 0.00 1.76 1.66 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.02 3.78 0.00 2.15 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 2.27 2.30 0.00 23 Y 7.86 4.32 0.00 3.14 3.05 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 0.00 0.00 0.00 24 T 8.37 4.10 4.44 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 0.00 0.00 0.00 1.34 0.00 0.00 25 H 8.16 4.24 0.00 3.28 3.39 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.55 5.14 0.00 2.79 2.66 0.00 0.00 6.76 8.05 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 27 P 0.00 4.19 0.00 2.20 2.29 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 28 V 7.75 3.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 29 L 7.53 3.83 0.00 1.54 1.69 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.38 4.31 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 31 K 7.50 4.27 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.33 7.81 32 I 7.54 3.56 1.31 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.11 0.00 0.00 33 L 7.99 3.98 0.00 2.02 1.80 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.05 3.83 0.00 1.99 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 2.28 2.33 0.00 35 D 7.71 4.07 0.00 2.70 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 0.00 0.00 0.00 0.00 36 E 7.96 3.75 0.00 1.98 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 2.52 2.70 0.00 37 E 7.64 3.98 0.00 2.02 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 0.00 2.22 2.28 0.00 38 K 6.84 3.66 0.00 0.79 0.74 0.00 1.20 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.00 7.81 39 H 7.86 4.31 0.00 3.30 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.26 3.70 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 1.54 0.71 0.92 0.00 0.00 41 E 8.11 4.08 0.00 2.01 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 2.41 2.39 0.00 42 W 8.58 4.56 0.00 3.41 3.19 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 0.00 0.00 0.00 0.00 43 L 8.21 4.23 0.00 2.00 2.01 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.48 3.87 0.00 2.21 2.02 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 2.30 2.50 0.00 45 T 8.34 4.03 4.33 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 1.25 0.00 0.00 46 I 7.18 3.77 1.89 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 1.79 0.73 0.92 0.00 0.00 47 L 7.52 4.24 0.00 1.82 1.79 0.91 0.68 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 48 G 7.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00