NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7617 8.2116 122.2813 51.9737 20.1600 176.3481 2 R 4.1172 8.9042 123.4190 54.6463 32.2161 170.9806 3 E 5.0346 8.2141 122.0454 54.0248 32.5954 174.6095 4 V 4.4703 8.1194 125.7968 59.7872 34.7754 174.2568 5 I 5.0819 8.8248 122.9774 59.1751 41.0111 174.0131 6 L 5.2328 9.0008 128.7388 53.8896 44.3316 175.1853 7 A 4.6024 8.9474 124.0822 51.4683 19.9519 176.4026 8 V 4.2712 8.4610 124.0368 61.6304 32.8892 175.1774 9 H 4.5208 8.6323 126.9926 55.8512 30.3047 175.0277 10 G 4.3965 9.0965 111.3061 46.7834 0.0000 174.1629 11 M 3.9106 7.9194 117.9614 56.1122 32.1116 176.8919 12 T 4.6366 8.2507 116.0082 61.7799 68.9742 172.2176 13 C 4.7170 7.6421 116.9643 56.8410 34.3730 174.7621 14 S 4.1098 8.6483 120.6138 61.5632 62.3073 176.4847 15 A 3.9923 8.2064 123.0412 55.7378 17.7966 179.2329 16 C 4.1993 8.1289 114.8221 63.2711 28.2658 176.0486 17 T 3.6460 7.7201 113.8652 65.2263 66.8791 175.2114 18 N 4.6408 8.2883 120.0509 56.0464 38.5677 177.0396 19 T 3.8443 8.1526 113.9973 65.8197 67.4302 175.4856 20 I 3.7156 8.1302 122.1878 64.2686 37.0075 177.6357 21 N 4.2470 9.0143 117.5379 56.7583 37.0727 177.2397 22 T 3.8210 8.0911 118.0283 66.3091 68.3805 176.3358 23 Q 4.0244 8.0109 118.4771 59.0972 29.0149 178.9306 24 L 4.1342 8.1957 119.9420 58.0675 41.5365 179.4297 25 R 3.8515 8.1416 117.1466 59.5778 29.9661 177.6294 26 A 4.2589 7.8185 118.1163 54.1177 18.6700 178.5752 27 L 3.9877 8.1279 118.4214 55.7855 40.6467 176.7250 28 K 4.1747 7.4454 124.3556 57.6216 39.1508 177.4691 29 G 3.5483 7.5031 107.9981 47.2597 0.0000 173.2058 30 V 4.0869 7.1515 121.4269 63.4844 31.8292 175.0321 31 T 4.4297 9.0137 118.3401 63.1030 69.9805 174.8143 32 K 4.8899 7.7586 121.9717 54.5530 36.5291 174.3141 33 C 4.9696 8.3800 116.8079 57.3998 32.3229 173.4050 34 D 4.8274 9.4012 123.5322 52.5200 42.0896 174.0283 35 I 4.5883 8.0936 123.0988 59.4581 38.5419 175.4842 36 S 4.4146 8.2419 120.7391 56.0297 66.0572 175.1434 37 L 4.4735 8.1890 129.2090 54.5167 39.4429 175.4344 38 V 4.2027 7.1188 118.0885 63.6805 34.2983 175.7222 39 T 4.3105 7.7762 107.5656 60.5419 69.8392 173.9980 40 N 4.1143 7.5307 116.4538 55.1297 36.6747 172.5752 41 E 5.1782 7.5701 114.7544 54.5845 34.2173 175.5527 42 C 4.8149 9.1579 120.4387 57.5670 35.0249 172.2271 43 Q 4.8960 8.3817 127.1504 54.2844 31.5028 174.0663 44 V 4.5172 8.7887 126.9572 61.4768 34.5324 174.7752 45 T 4.6971 9.0575 127.0153 62.8825 68.4518 173.5650 46 Y 5.3320 8.5909 124.7926 55.1727 41.9442 173.5628 47 D 5.4790 8.7070 118.6715 52.3268 44.8304 175.7715 48 N 4.4394 9.2341 116.7952 55.6452 38.6126 176.6725 49 E 3.9689 8.2432 117.6028 58.6431 29.6323 177.4597 50 V 4.0265 7.2987 117.3142 60.4297 33.4423 175.4234 51 T 4.3571 7.6489 112.2026 59.2009 70.4635 173.5872 52 A 4.1296 8.6576 130.1559 55.5100 18.5360 178.9988 53 D 4.2604 8.0633 115.9173 57.4089 41.3539 177.9933 54 S 4.1992 8.3144 113.9469 61.6635 62.3618 175.9612 55 I 3.6856 7.9826 122.6394 64.4784 36.8966 178.0368 56 K 3.8674 8.4336 120.3347 59.6583 32.0981 178.2138 57 E 4.0510 8.5642 119.1441 59.8919 29.4613 179.7271 58 I 3.7470 8.3861 119.5900 64.5676 37.1909 178.6672 59 I 3.9366 7.8682 120.6054 64.2071 36.8007 178.0121 60 E 4.1938 8.6122 121.3052 58.8580 29.1567 178.7819 61 D 4.4078 8.3316 116.5628 57.9358 41.3910 177.9566 62 C 4.2347 8.2656 115.9367 61.5870 28.4276 174.0664 63 G 3.9668 7.5959 109.8088 46.4722 0.0000 173.8193 64 F 4.8927 7.9777 116.8748 55.0795 43.5348 174.7376 65 D 4.8904 8.9328 123.8924 54.8667 41.6581 175.1154 66 C 5.1045 8.4725 116.3675 57.3854 32.7167 172.9381 67 E 4.8192 9.1484 118.8793 54.6669 34.0380 174.7910 68 I 4.0857 8.8491 124.9388 61.6979 37.1686 175.2034 69 L 4.4558 8.7274 128.9842 56.5787 43.1996 176.0983 70 R 4.6434 8.3746 117.5574 54.2756 34.0828 173.9453 71 D 4.9897 9.2833 120.9901 51.7022 41.2653 176.1670 72 S 4.6273 7.7984 118.0159 58.9835 62.3449 176.5944 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 8.21 4.76 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 4.12 0.00 1.99 2.02 0.00 3.03 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 3 E 8.21 5.03 0.00 1.86 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 4 V 8.12 4.47 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 5 I 8.82 5.08 1.82 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 1.25 1.66 0.91 0.00 0.00 6 L 9.00 5.23 0.00 1.86 1.69 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.95 4.60 1.24 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 0.00 0.00 8 V 8.46 4.27 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 0.58 0.00 0.00 0.86 0.00 0.00 9 H 8.63 4.52 0.00 3.22 3.31 0.00 5.77 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 10 G 9.10 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.92 3.91 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.54 0.00 12 T 8.25 4.64 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 C 7.64 4.72 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.65 4.11 0.00 3.90 3.89 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 15 A 8.21 3.99 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 16 C 8.13 4.20 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.65 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 18 N 8.29 4.64 0.00 2.99 2.89 0.00 0.00 6.20 7.15 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 19 T 8.15 3.84 4.52 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 1.48 0.00 0.00 20 I 8.13 3.72 1.87 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.42 0.85 0.00 0.00 21 N 9.01 4.25 0.00 2.88 3.08 0.00 0.00 7.16 7.16 0.00 0.00 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 T 8.09 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 23 Q 8.01 4.02 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 24 L 8.20 4.13 0.00 1.82 1.76 0.94 0.81 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 25 R 8.14 3.85 0.00 1.93 2.12 0.00 3.32 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 26 A 7.82 4.26 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.13 3.99 0.00 1.60 1.61 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.45 4.17 0.00 1.69 1.58 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.31 7.81 29 G 7.50 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.15 4.09 2.23 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 0.98 0.00 0.00 1.03 0.00 0.00 31 T 9.01 4.43 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 1.31 0.00 0.00 32 K 7.76 4.89 0.00 1.80 1.61 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 33 C 8.38 4.97 0.00 3.07 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 34 D 9.40 4.83 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.59 1.83 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 1.29 0.52 0.89 0.00 0.00 36 S 8.24 4.41 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 4.47 0.00 1.61 1.62 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.12 4.20 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 0.81 0.00 0.00 0.92 0.00 0.00 39 T 7.78 4.31 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 1.20 0.00 0.00 40 N 7.53 4.11 0.00 2.97 3.04 0.00 0.00 6.84 7.83 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 41 E 7.57 5.18 0.00 1.96 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 2.21 2.23 0.00 42 C 9.16 4.81 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.38 4.90 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 44 V 8.79 4.52 2.12 0.00 0.00 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 0.96 0.00 0.00 45 T 9.06 4.70 4.30 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 1.19 0.00 0.00 46 Y 8.59 5.33 0.00 2.78 3.03 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 0.00 0.00 0.00 47 D 8.71 5.48 0.00 2.75 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 48 N 9.23 4.44 0.00 2.71 2.86 0.00 0.00 7.10 7.61 0.00 0.00 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 E 8.24 3.97 0.00 1.91 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 2.30 2.29 0.00 50 V 7.30 4.03 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 -0.07 0.00 0.00 0.83 0.00 0.00 51 T 7.65 4.36 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 52 A 8.66 4.13 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 53 D 8.06 4.26 0.00 2.81 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 54 S 8.31 4.20 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.98 3.69 2.17 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.34 1.01 0.00 0.00 56 K 8.43 3.87 0.00 1.83 2.01 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.52 7.81 57 E 8.56 4.05 0.00 2.30 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 2.35 2.40 0.00 58 I 8.39 3.75 2.07 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 1.70 0.86 0.95 0.00 0.00 59 I 7.87 3.94 2.17 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 1.57 0.93 1.11 0.00 0.00 60 E 8.61 4.19 0.00 2.17 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 2.37 2.43 0.00 61 D 8.33 4.41 0.00 2.63 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 62 C 8.27 4.23 0.00 3.33 3.27 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 0.00 63 G 7.60 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.98 4.89 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.93 4.89 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.47 5.10 0.00 3.04 2.88 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 0.00 0.00 0.00 67 E 9.15 4.82 0.00 1.90 1.84 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 2.26 2.46 0.00 68 I 8.85 4.09 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.94 0.00 0.00 69 L 8.73 4.46 0.00 1.63 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.37 4.64 0.00 1.85 1.65 0.00 3.08 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 71 D 9.28 4.99 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.80 4.63 0.00 4.09 3.87 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 0.00 0.00 0.00