NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1390 8.2649 123.5822 51.7256 20.1480 178.0398 3 S 3.6427 8.3116 117.6696 59.9898 62.0699 171.5608 4 T 4.6430 7.6636 115.2995 61.4131 71.0233 173.4421 5 S 4.9121 7.3590 119.2354 57.7032 64.5456 175.6735 6 R 4.4967 7.7919 118.4922 56.1470 32.4279 175.3864 7 L 4.3704 6.9494 115.4247 54.8639 42.1576 172.4704 8 D 4.9444 8.6166 118.1063 52.3445 44.1635 175.6082 9 A 4.5886 8.2016 122.9602 50.2908 21.2339 176.0786 10 L 4.0719 8.7784 125.5376 57.7260 42.5147 175.8069 11 P 4.5258 0.0000 0.0000 62.1513 32.7102 176.5169 12 R 4.2207 8.1457 116.9191 55.6307 28.2676 175.5045 13 V 4.0108 7.1049 112.3522 60.9158 33.6267 176.3236 14 T 4.2090 8.0134 111.1505 61.0076 69.2488 173.7864 15 C 4.1997 8.4466 122.2765 58.8222 31.9547 172.7896 16 P 4.3703 0.0000 0.0000 65.0015 31.1112 176.6160 17 N 4.8308 8.0091 113.3919 53.2712 39.0461 174.5773 18 H 4.9409 7.5091 114.8775 52.8216 29.2724 172.1253 19 P 4.4590 0.0000 0.0000 65.6915 31.8764 178.7724 20 D 4.3721 8.1992 117.5486 56.4101 40.9083 176.5856 21 A 4.4031 7.0510 123.4516 50.2124 17.4537 175.8709 22 I 3.8566 7.6997 120.6081 60.3396 39.0602 175.8711 23 L 4.1597 8.3689 126.3186 55.5609 42.3661 176.6028 24 V 4.3821 8.8659 121.2155 61.5076 34.5196 173.9953 25 E 4.8512 8.3670 123.4693 54.6163 31.3606 176.6123 26 D 4.2416 8.1254 124.7384 54.5050 42.7307 175.6610 27 Y 4.2657 8.1776 115.7192 60.2363 38.0178 177.1433 28 R 4.1922 8.0007 120.2014 56.5446 30.1325 173.8601 29 A 3.6698 8.8269 126.7755 53.4386 15.5625 177.8927 30 G 4.3604 8.0774 104.4544 45.5339 0.0000 175.5213 31 D 4.9033 7.6735 121.2467 53.0401 40.1935 171.4905 32 M 5.3487 7.8414 118.1911 53.5405 34.0929 175.3312 33 I 5.4538 8.1522 123.6862 58.7003 40.9904 173.4981 34 C 4.8025 8.6090 130.0053 57.5286 32.0748 172.3898 35 P 4.2195 0.0000 0.0000 65.0676 30.5723 176.2375 36 E 4.0514 7.3203 118.8313 58.0809 29.7069 176.8517 37 C 4.2009 8.0797 120.8887 59.6448 30.9869 173.9878 38 G 3.5931 8.0937 107.8212 45.9555 0.0000 172.6421 39 L 4.4581 7.4389 119.1592 54.8249 43.7177 176.9386 40 V 4.6967 7.9873 118.6997 61.9900 33.3696 174.2166 41 V 4.2178 9.3161 129.2911 61.7052 34.7262 175.7944 42 G 5.2887 8.1859 135.0000 46.4368 0.0000 170.6435 43 D 5.2374 8.1697 119.4875 52.7571 41.9684 174.9312 44 R 4.6121 7.9566 121.9278 54.8253 32.7435 174.9620 45 V 3.1926 8.2793 113.6779 63.9965 29.2182 172.4021 46 I 4.6453 7.2326 126.0979 59.7279 38.1081 174.1048 47 D 4.4734 7.6362 119.9611 52.5140 40.7108 176.6013 48 V 3.6481 8.2191 118.9660 62.9088 30.3716 171.8519 49 G 4.0088 8.6981 122.9643 44.8636 0.0000 172.4180 50 S 4.8740 8.0774 110.6942 58.0779 63.4952 174.7927 51 E 4.2010 8.5811 129.1222 57.9232 29.8703 176.7565 52 W 4.1402 7.5745 118.3213 57.7442 29.6128 175.9563 53 R 4.5571 7.5952 118.2771 55.9015 32.6522 174.3182 54 T 4.4294 8.5382 111.8658 60.5503 69.5679 174.1263 55 F 5.0003 8.2222 120.9136 54.9621 40.4827 173.9916 56 S 4.4176 8.6298 116.3816 58.1272 65.0154 172.5482 57 N 4.3075 8.8094 117.4575 53.8421 35.7882 174.3894 58 D 4.7857 8.2535 115.8061 55.1820 47.3800 174.5331 59 K 4.2143 8.1387 123.0313 56.4512 32.2634 175.6179 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 2 A 8.26 4.14 1.30 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 0.00 0.00 3 S 8.31 3.64 0.00 4.11 3.91 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 0.00 0.00 0.00 4 T 7.66 4.64 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 1.21 0.00 0.00 5 S 7.36 4.91 0.00 3.76 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 6 R 7.79 4.50 0.00 1.86 1.93 0.00 3.18 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 7 L 6.95 4.37 0.00 1.71 1.63 0.91 0.65 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 8 D 8.62 4.94 0.00 2.61 2.56 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 9 A 8.20 4.59 1.19 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 0.00 0.00 10 L 8.78 4.07 0.00 1.59 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.21 2.02 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 12 R 8.15 4.22 0.00 1.94 2.02 0.00 3.02 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 13 V 7.10 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 14 T 8.01 4.21 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 1.21 0.00 0.00 15 C 8.45 4.20 0.00 3.01 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 16 P 0.00 4.37 0.00 2.20 2.16 0.00 3.77 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 1.96 1.98 0.00 17 N 8.01 4.83 0.00 2.60 2.63 0.00 0.00 6.64 8.12 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 18 H 7.51 4.94 0.00 3.20 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.18 2.18 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 20 D 8.20 4.37 0.00 2.70 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 21 A 7.05 4.40 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 22 I 7.70 3.86 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 1.41 0.86 0.91 0.00 0.00 23 L 8.37 4.16 0.00 1.54 1.60 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.87 4.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.91 0.00 0.00 25 E 8.37 4.85 0.00 1.87 1.85 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 2.21 2.22 0.00 26 D 8.13 4.24 0.00 2.84 2.55 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 27 Y 8.18 4.27 0.00 3.03 2.89 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 28 R 8.00 4.19 0.00 1.91 1.97 0.00 3.33 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 29 A 8.83 3.67 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 4.36 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 0.00 31 D 7.67 4.90 0.00 2.93 2.64 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 0.00 0.00 0.00 32 M 7.84 5.35 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 33 I 8.15 5.45 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 1.42 2.10 0.85 0.00 0.00 34 C 8.61 4.80 0.00 3.05 2.87 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 35 P 0.00 4.22 0.00 2.18 2.15 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 36 E 7.32 4.05 0.00 1.41 1.23 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 2.12 1.94 0.00 37 C 8.08 4.20 0.00 3.12 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 38 G 8.09 3.59 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 0.00 0.00 0.00 39 L 7.44 4.46 0.00 1.78 1.83 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.99 4.70 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 0.76 0.00 0.00 0.91 0.00 0.00 41 V 9.32 4.22 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 0.86 0.00 0.00 0.92 0.00 0.00 42 G 8.19 5.29 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 0.00 43 D 8.17 5.24 0.00 2.79 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 44 R 7.96 4.61 0.00 1.88 1.87 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 45 V 8.28 3.19 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 0.71 0.00 0.00 0.90 0.00 0.00 46 I 7.23 4.65 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.90 0.00 0.00 47 D 7.64 4.47 0.00 2.72 2.56 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 48 V 8.22 3.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 49 G 8.70 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.08 4.87 0.00 4.07 4.10 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 0.00 0.00 0.00 51 E 8.58 4.20 0.00 1.68 1.40 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 2.07 2.06 0.00 52 W 7.57 4.14 0.00 3.52 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.56 0.00 1.84 1.90 0.00 3.34 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 54 T 8.54 4.43 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 1.25 0.00 0.00 55 F 8.22 5.00 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.63 4.42 0.00 3.73 3.70 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 57 N 8.81 4.31 0.00 2.91 2.90 0.00 0.00 6.65 8.06 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 58 D 8.25 4.79 0.00 2.63 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 59 K 8.14 4.21 0.00 2.00 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.56 7.81