NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4479 8.1633 120.2861 55.5124 34.2390 173.6634 2 T 4.8615 8.2401 118.2499 62.0717 69.4724 172.4662 3 Y 5.1841 9.7617 124.5354 56.1932 42.0253 174.3352 4 K 4.9833 9.0595 121.9688 54.6711 35.9838 174.4727 5 L 4.9544 9.0102 127.3685 53.2423 45.0574 174.9240 6 I 4.6130 8.9140 127.7678 59.7851 39.3280 174.5833 7 L 4.4653 8.5180 128.2883 52.8987 43.2676 176.1255 8 N 5.1075 8.8554 125.1513 51.9729 38.0833 173.4419 9 G 4.2700 8.2800 111.0537 43.7836 0.0000 171.7793 10 K 4.1288 9.1911 118.5778 58.8749 32.2648 178.6546 11 T 4.2850 7.8918 113.4743 63.9790 70.0568 174.5065 12 L 4.7144 7.6295 122.8213 52.9110 43.9932 174.9796 13 K 5.1320 8.7494 124.2102 53.9581 36.4226 176.7109 14 G 3.9715 7.6017 108.4746 46.2641 0.0000 170.3580 15 E 5.2838 8.4313 120.0006 55.0874 32.8800 175.6659 16 T 4.9380 8.7492 115.8504 60.4770 73.1202 172.1120 17 T 5.4618 8.3522 110.5459 60.8179 72.4547 172.5317 18 T 4.7243 9.6838 115.9788 60.8374 71.5885 171.4886 19 E 5.2660 8.5792 125.3311 54.5102 31.3364 174.6913 20 A 4.6124 9.1703 127.3366 50.8733 22.1413 176.7150 21 V 3.7371 8.5407 113.6856 64.2909 32.0815 176.5004 22 D 4.9202 7.8106 118.4875 51.2677 43.4337 175.7778 23 A 3.4687 8.6223 120.4449 55.0287 17.6919 179.5718 24 A 3.9246 7.8828 118.8605 55.4165 18.4990 179.8461 25 T 3.7769 8.2101 114.1812 66.4758 68.5624 177.1141 26 A 3.3614 7.3735 122.5878 54.7172 18.1624 179.2108 27 E 3.1350 8.0926 118.2504 59.0772 29.6180 179.3541 28 K 3.7760 7.3925 117.4763 59.1848 32.0313 179.5329 29 V 3.4465 7.2869 118.2910 66.0547 31.4231 178.1245 30 F 4.7318 7.9319 117.8279 60.6279 38.6520 177.8520 31 K 4.0962 7.9133 118.1790 59.5213 31.7331 179.1870 32 Q 3.9678 8.1302 119.8378 59.1832 28.8394 177.4028 33 Y 4.1438 8.3937 120.5857 60.8350 38.8718 178.0280 34 A 3.9719 8.9839 121.7239 55.3599 18.6782 179.2864 35 N 4.3167 8.5933 115.1994 56.7591 38.4811 177.4654 36 D 4.4871 8.3091 118.7308 56.3382 40.8221 177.4833 37 N 4.7813 7.3211 115.6405 52.4144 38.8787 175.5853 38 G 3.8524 7.6973 107.2544 45.7978 0.0000 174.0351 39 V 4.1905 7.5091 119.0243 61.7978 32.3380 176.1336 40 D 4.6917 8.9533 126.4716 53.2819 42.2681 174.3712 41 G 4.0337 7.9729 114.9355 44.1766 0.0000 168.7925 42 E 4.7159 8.6881 119.2198 55.2067 31.2856 175.8222 43 W 5.9034 9.1831 122.3775 54.7027 32.5627 174.9056 44 T 4.9526 8.5039 110.4298 60.7471 72.1837 171.7743 45 Y 4.9613 8.4784 122.7569 55.9523 42.6225 173.1587 46 D 4.5352 8.4098 126.3188 52.1047 42.7058 175.7001 47 D 4.0735 8.3124 126.1069 56.3099 41.5691 178.2240 48 A 4.0026 7.6984 121.1551 54.4708 18.3540 177.8350 49 T 4.4740 7.1316 102.0406 60.2038 70.0171 173.7143 50 K 4.0426 7.5542 120.5697 58.2808 30.4785 174.4102 51 T 5.2838 7.7915 114.2419 61.9669 71.4510 173.7937 52 F 5.6347 9.6269 124.5516 56.0875 42.4570 174.7269 53 T 5.1817 9.0176 111.7396 59.8876 72.3191 172.9696 54 V 4.2628 8.3115 123.6088 59.9769 34.5385 174.6263 55 T 4.9252 8.7930 119.4580 61.9930 72.6326 173.8805 56 E 4.2737 8.7979 125.0719 56.4279 29.3122 176.0875 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 M 8.16 4.45 0.00 1.60 1.98 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 2 T 8.24 4.86 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 3 Y 9.76 5.18 0.00 3.12 3.43 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 4 K 9.06 4.98 0.00 1.89 1.74 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.59 7.81 5 L 9.01 4.95 0.00 0.27 0.66 0.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.91 4.61 1.83 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 1.34 0.57 0.87 0.00 0.00 7 L 8.52 4.47 0.00 1.62 1.52 1.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.86 5.11 0.00 2.71 2.58 0.00 0.00 6.60 7.52 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 9 G 8.28 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 0.00 0.00 0.00 0.00 10 K 9.19 4.13 0.00 1.70 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 11 T 7.89 4.29 4.22 0.00 0.00 0.00 0.00 0.00 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 12 L 7.63 4.71 0.00 1.61 1.46 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.75 5.13 0.00 1.70 1.61 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.38 7.81 14 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 15 E 8.43 5.28 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 16 T 8.75 4.94 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 1.15 0.00 0.00 17 T 8.35 5.46 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 T 9.68 4.72 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 0.62 0.00 0.00 19 E 8.58 5.27 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 20 A 9.17 4.61 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.54 3.74 2.09 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 0.76 0.00 0.00 0.90 0.00 0.00 22 D 7.81 4.92 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.62 3.47 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.88 3.92 1.25 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 0.00 0.00 25 T 8.21 3.78 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 1.09 0.00 0.00 26 A 7.37 3.36 0.35 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 27 E 8.09 3.14 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.55 0.00 28 K 7.39 3.78 0.00 1.93 1.70 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.36 7.81 29 V 7.29 3.45 1.71 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 0.83 0.00 0.00 0.79 0.00 0.00 30 F 7.93 4.73 0.00 2.89 3.16 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 0.00 0.00 0.00 0.00 31 K 7.91 4.10 0.00 1.77 1.71 0.00 1.40 0.00 0.00 0.84 0.00 0.00 2.49 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 1.04 7.81 32 Q 8.13 3.97 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 33 Y 8.39 4.14 0.00 3.34 3.35 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 34 A 8.98 3.97 1.66 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 35 N 8.59 4.32 0.00 3.04 2.90 0.00 0.00 7.10 7.75 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 36 D 8.31 4.49 0.00 2.68 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 37 N 7.32 4.78 0.00 2.33 2.64 0.00 0.00 7.02 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.51 4.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 40 D 8.95 4.69 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 4.03 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 0.00 0.00 0.00 42 E 8.69 4.72 0.00 1.92 1.92 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 2.34 2.32 0.00 43 W 9.18 5.90 0.00 3.22 3.32 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 0.00 44 T 8.50 4.95 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 45 Y 8.48 4.96 0.00 2.51 2.65 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 46 D 8.41 4.54 0.00 2.56 2.28 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 0.00 47 D 8.31 4.07 0.00 2.77 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 48 A 7.70 4.00 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 49 T 7.13 4.47 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 50 K 7.55 4.04 0.00 1.94 1.86 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 51 T 7.79 5.28 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 1.28 0.00 0.00 52 F 9.63 5.63 0.00 3.27 3.40 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 53 T 9.02 5.18 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 54 V 8.31 4.26 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.33 0.00 0.00 55 T 8.79 4.93 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 1.16 0.00 0.00 56 E 8.80 4.27 0.00 1.82 1.82 0.00 0.00 0.00 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 2.18 0.00