NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9272 8.3544 109.7359 45.1331 0.0000 174.8682 -1 S 3.8972 8.7142 114.3028 61.0367 62.7578 174.4217 -1 Q 3.7672 8.7242 118.4028 58.4367 28.3578 175.8217 2 R 4.4142 7.6251 120.6447 56.2113 30.3179 174.7301 3 R 4.2249 8.0920 124.1312 56.7565 31.6007 175.9811 4 Q 3.5281 8.6928 111.0239 57.8715 26.0250 174.2910 5 R 4.7798 7.9224 110.3786 56.4102 32.6455 175.7897 6 T 4.1981 7.4800 113.7187 62.6947 69.6436 174.8845 7 H 4.1020 8.5416 122.0881 59.1539 30.4881 174.8459 8 F 4.5597 8.1125 115.8104 58.4439 38.6619 177.0322 9 T 4.7913 6.1184 118.4292 61.2191 74.6012 173.9857 10 S 4.1522 8.8852 121.6459 62.1366 62.8023 177.3316 11 Q 4.0626 7.9758 117.2291 58.5367 28.6954 178.0935 12 Q 4.0398 7.9017 120.3047 59.0309 28.9874 177.8332 13 L 3.7138 7.7623 119.9001 57.9292 41.4693 179.4370 14 Q 4.4188 8.0016 117.7788 57.4335 27.9071 177.8806 15 Q 4.6169 8.1531 117.8045 56.2107 30.9707 177.6471 16 L 4.2514 7.7423 120.0505 57.5765 41.4498 179.0729 17 E 4.3717 8.7300 117.9422 59.4315 28.2061 178.9268 18 A 3.9870 7.6042 122.0255 55.0475 18.2630 178.9429 19 T 3.9911 8.0348 109.6151 64.8001 68.7172 176.7657 20 F 4.5847 8.3971 119.2884 59.1831 38.3420 177.1706 21 Q 3.5892 6.9599 117.2318 57.9589 28.3658 177.8974 22 R 4.3239 7.0471 115.4392 57.7211 32.2985 177.4949 23 N 4.8527 8.5056 116.4468 53.1849 36.9625 176.1738 24 R 4.7847 7.9027 114.4210 57.6114 30.9609 176.7561 25 Y 4.2421 7.7866 119.1000 55.0270 41.4181 172.9571 26 P 4.4638 0.0000 0.0000 62.2057 31.2185 173.8119 27 D 4.9764 8.0202 117.6227 51.4776 42.5145 176.0127 28 M 4.2631 8.7377 115.7203 57.7143 31.1486 177.0551 29 S 4.6588 7.7946 112.6237 58.9186 64.3518 175.5805 30 T 3.9742 8.5696 116.5531 65.2954 68.1340 174.5607 31 R 4.5503 7.6298 115.2826 55.3267 30.8630 176.6884 32 E 3.9851 8.3178 120.8666 59.4021 29.6295 177.9628 33 E 3.4593 7.9065 118.7929 59.0186 29.4107 178.7007 34 I 3.4361 7.3905 119.2968 64.1309 36.9501 177.9915 35 A 3.9160 7.7057 120.7481 54.8087 18.1788 179.5851 36 V 3.6852 7.3043 115.9969 65.8043 31.7243 177.9072 37 W 4.6986 7.9117 118.0001 59.3428 29.3153 177.0765 38 T 4.1842 7.4609 108.1790 61.2003 69.4189 174.9550 39 N 4.6573 8.2948 120.7920 51.7364 35.3819 172.5563 40 L 4.4332 7.1175 121.9256 55.0181 46.3069 173.9085 41 T 4.6464 7.9323 116.2184 60.9655 71.3023 175.1026 42 E 3.9089 8.9932 124.1930 59.8924 29.2414 179.3831 43 A 4.0049 8.0340 121.0848 54.9759 18.5268 179.6334 44 R 4.0722 8.0349 116.2114 59.1910 29.9894 179.3032 45 V 3.7544 7.7276 116.9129 65.5792 31.7717 177.8126 46 R 4.1043 8.3969 119.1793 59.4718 29.9640 178.1867 47 V 3.6495 8.1097 118.4256 66.2579 31.4149 177.4375 48 W 4.4021 8.4956 127.3620 60.6721 30.3163 177.7573 49 F 3.8270 8.5426 120.3718 61.3037 38.7282 177.2691 50 K 3.9214 8.1434 116.1583 59.2931 31.8824 178.3057 51 N 4.1909 7.5329 116.2546 56.8562 39.1704 176.8807 52 R 3.4873 7.2248 119.3789 58.7660 29.8358 179.0590 53 R 3.8168 7.6202 114.0661 58.8874 29.4983 177.8933 54 A 4.0118 7.8239 122.6655 54.6899 18.4391 178.9751 55 K 3.9644 7.8076 116.9109 58.0622 32.6019 179.0053 56 W 4.6942 8.0939 130.7281 60.3689 30.3461 178.0361 57 R 4.2365 7.9224 114.8979 58.3478 29.5290 178.3079 58 K 4.2900 8.0334 117.4728 57.5138 32.5971 177.8461 59 R 4.4112 7.8164 117.1747 57.4243 30.9484 176.5812 60 E 4.5907 8.3925 112.6005 55.5935 31.9782 177.0115 61 E 4.1808 8.4421 120.5916 59.1103 29.7225 178.1741 62 F 4.5819 7.9359 117.0986 57.7628 40.2942 174.2600 63 I 3.9356 7.9403 121.3624 60.6349 35.8154 174.8208 64 V 3.5797 8.6666 127.9211 63.2166 31.0573 171.7456 65 T 4.4109 6.8212 111.4909 61.3170 74.6098 173.1148 66 D 4.0547 7.7076 123.5880 54.1711 38.7077 175.9834 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 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 3.90 0.00 3.93 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 -1 Q 8.72 3.77 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 2 R 7.63 4.41 0.00 1.84 2.21 0.00 3.40 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 3 R 8.09 4.22 0.00 1.93 1.95 0.00 3.20 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 4 Q 8.69 3.53 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 7.32 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 5 R 7.92 4.78 0.00 1.74 1.89 0.00 3.16 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 6 T 7.48 4.20 4.11 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 0.00 0.00 0.00 1.04 0.00 0.00 7 H 8.54 4.10 0.00 3.07 3.40 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.11 4.56 0.00 3.01 2.84 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 0.00 0.00 0.00 9 T 6.12 4.79 4.38 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 1.26 0.00 0.00 10 S 8.89 4.15 0.00 3.87 3.95 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 11 Q 7.98 4.06 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 12 Q 7.90 4.04 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 13 L 7.76 3.71 0.00 1.81 1.68 1.02 0.45 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 14 Q 8.00 4.42 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 15 Q 8.15 4.62 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 16 L 7.74 4.25 0.00 1.04 0.85 0.40 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.73 4.37 0.00 2.29 2.52 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 2.41 2.42 0.00 18 A 7.60 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.99 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 1.41 0.00 0.00 20 F 8.40 4.58 0.00 2.92 3.10 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 21 Q 6.96 3.59 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 1.72 1.20 0.00 22 R 7.05 4.32 0.00 1.89 1.98 0.00 3.12 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 23 N 8.51 4.85 0.00 3.01 2.89 0.00 0.00 7.27 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 24 R 7.90 4.78 0.00 2.08 2.44 0.00 3.33 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 25 Y 7.79 4.24 0.00 3.01 2.92 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 0.00 0.00 0.00 26 P 0.00 4.46 0.00 1.68 1.75 0.00 2.34 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.59 0.00 27 D 8.02 4.98 0.00 2.84 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 28 M 8.74 4.26 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 29 S 7.79 4.66 0.00 3.96 3.81 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 0.00 0.00 0.00 30 T 8.57 3.97 4.34 0.00 0.00 0.00 0.00 0.00 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 31 R 7.63 4.55 0.00 1.89 1.97 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 32 E 8.32 3.99 0.00 2.16 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 2.19 2.24 0.00 33 E 7.91 3.46 0.00 1.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 34 I 7.39 3.44 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.35 0.94 0.00 0.00 35 A 7.71 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 36 V 7.30 3.69 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 0.98 0.00 0.00 0.84 0.00 0.00 37 W 7.91 4.70 0.00 3.40 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 4.18 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 1.29 0.00 0.00 39 N 8.29 4.66 0.00 2.83 2.89 0.00 0.00 5.75 7.76 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 40 L 7.12 4.43 0.00 1.39 1.37 0.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.93 4.65 4.20 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 1.19 0.00 0.00 42 E 8.99 3.91 0.00 2.20 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 2.34 2.44 0.00 43 A 8.03 4.00 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 44 R 8.03 4.07 0.00 1.95 1.92 0.00 3.80 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 45 V 7.73 3.75 2.21 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 0.81 0.00 0.00 0.88 0.00 0.00 46 R 8.40 4.10 0.00 2.10 2.09 0.00 3.19 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 47 V 8.11 3.65 2.40 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 1.06 0.00 0.00 1.06 0.00 0.00 48 W 8.50 4.40 0.00 3.74 3.46 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 49 F 8.54 3.83 0.00 3.38 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 50 K 8.14 3.92 0.00 1.88 1.85 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.57 7.81 51 N 7.53 4.19 0.00 2.44 2.84 0.00 0.00 5.97 6.17 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 52 R 7.22 3.49 0.00 1.17 1.03 0.00 2.33 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.62 3.82 0.00 1.29 1.90 0.00 3.17 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 54 A 7.82 4.01 1.21 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 0.00 0.00 0.00 55 K 7.81 3.96 0.00 1.75 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.47 7.81 56 W 8.09 4.69 0.00 3.55 2.96 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 57 R 7.92 4.24 0.00 1.87 2.02 0.00 3.41 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 58 K 8.03 4.29 0.00 1.92 1.87 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 R 7.82 4.41 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 60 E 8.39 4.59 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.65 0.00 61 E 8.44 4.18 0.00 2.28 2.25 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 2.60 2.92 0.00 62 F 7.94 4.58 0.00 3.02 2.98 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 0.00 0.00 0.00 63 I 7.94 3.94 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.92 0.00 0.00 64 V 8.67 3.58 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 0.67 0.00 0.00 0.92 0.00 0.00 65 T 6.82 4.41 4.07 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 1.09 0.00 0.00 66 D 7.71 4.05 0.00 2.56 2.32 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