NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3866 8.1749 111.0782 61.1787 70.5520 172.5009 2 P 4.7801 0.0000 0.0000 59.9857 34.1302 173.2052 3 D 4.1443 8.9452 123.3037 55.9234 41.1217 174.9956 4 C 4.6743 9.4969 123.7975 55.8496 41.1577 175.0622 5 V 4.3655 6.9649 115.8601 60.4714 35.3917 174.6436 6 T 4.1652 7.5396 112.2450 64.0421 71.6890 173.2340 7 G 3.9683 7.9345 114.4858 46.7063 0.0000 172.2652 8 K 4.7564 8.7116 119.2544 54.6643 33.3228 176.7633 9 V 3.8311 8.0023 120.5901 61.9190 31.0389 175.1418 10 E 4.2263 8.5964 129.9882 58.6088 29.0962 176.1867 11 Y 5.0050 7.1223 115.0659 56.3545 41.0945 172.3480 12 T 4.7953 8.2327 110.1211 60.0157 72.2411 173.0749 13 K 4.5566 8.4915 122.5047 55.1157 36.2501 174.0495 14 Y 4.8409 8.5543 127.9987 55.9886 39.8806 175.1214 15 N 4.6484 8.4039 124.9949 52.5805 39.5585 175.6866 16 D 4.5184 8.4648 118.0258 56.0315 41.4986 176.0795 17 D 4.7896 7.8594 117.1185 53.2967 39.6606 176.3080 18 D 3.9935 7.6917 116.7200 55.6680 39.4703 174.2373 19 T 4.3315 7.4323 109.8859 61.2831 69.9289 173.0455 20 F 5.4039 8.7653 124.3243 56.8116 42.6891 173.8187 21 T 5.3782 8.8691 122.2390 61.7639 71.3102 173.5588 22 V 4.5358 8.8482 125.4216 59.7515 35.1207 174.9638 23 K 4.4138 8.0227 121.1514 54.6487 33.9002 174.3149 24 V 4.4428 7.6700 124.4500 61.1675 34.2336 174.9358 25 G 3.9621 9.1142 118.3534 46.8234 0.0000 174.1902 26 D 4.8012 9.0064 122.2063 52.2054 40.3344 175.1976 27 K 4.5318 7.4037 119.5885 55.1595 35.4231 175.2331 28 E 4.6945 8.3551 122.5177 54.6003 31.3086 174.2897 29 L 5.3172 8.4613 125.9622 52.6940 45.4243 174.7826 30 F 5.8268 8.7017 114.8382 55.7769 42.2326 173.2570 31 T 4.7598 9.4516 111.9763 59.4685 70.7887 173.5852 32 N 4.9846 8.6484 121.5304 52.5916 38.1803 175.1809 33 R 4.2361 7.7384 119.3490 55.2185 29.1423 176.7883 34 W 4.6202 8.8447 124.6061 60.0083 28.1942 178.4690 35 N 4.5209 8.2672 114.4101 55.2071 38.4779 177.2226 36 L 4.4132 8.0677 119.0126 57.7112 41.5042 178.8728 37 Q 2.9843 7.3478 118.1440 58.8312 28.0372 179.3601 38 S 4.3518 7.7668 114.4636 60.1294 63.5271 176.4566 39 L 3.8108 7.2558 121.9429 57.7925 41.3205 179.1506 40 L 4.2358 9.2014 119.7638 57.9656 41.8439 179.0564 41 L 4.3192 8.1158 118.5073 56.9733 41.7485 178.2617 42 S 4.5116 7.6927 113.7007 60.9949 63.8926 176.1278 43 A 4.1089 8.0944 123.6212 55.0225 18.1765 179.3128 44 Q 3.9591 8.9138 118.5891 59.6646 28.9275 178.8161 45 I 3.9531 7.3206 118.7038 63.1922 37.2685 177.2873 46 T 4.5127 7.3508 107.8941 60.0431 70.2790 173.7616 47 G 3.8120 7.6262 108.4708 47.0253 0.0000 173.7063 48 M 4.5113 8.1365 118.0771 54.8840 34.5254 177.1235 49 T 4.7452 7.9339 118.3604 62.3485 70.9350 174.3855 50 V 4.5849 8.9732 118.7829 59.8423 36.3253 174.4385 51 T 4.9134 8.3783 120.7107 61.9297 70.9232 173.3908 52 I 4.6099 8.1863 126.9981 59.3356 39.8994 174.7514 53 K 5.4264 8.2255 124.9282 54.0523 34.2082 175.5323 54 T 4.6192 8.3026 118.4538 60.6453 70.5332 172.7885 55 N 4.7478 8.7534 122.9233 53.2580 39.2193 175.4349 56 A 4.7733 7.7867 120.6608 51.6601 19.3040 177.1927 57 C 4.9000 8.0072 117.7497 57.2079 44.3846 172.4102 58 H 5.1505 7.4808 113.7149 53.0160 31.3141 172.8170 59 N 4.3440 8.7432 118.2636 55.3243 38.7690 175.4951 60 G 4.0552 9.4475 109.9743 45.8478 0.0000 173.8685 61 G 3.9174 7.6116 107.6794 44.8583 0.0000 173.6552 62 G 3.5895 8.3015 110.2919 44.7268 0.0000 172.7337 63 F 5.0955 8.9859 118.5196 55.1859 41.2774 175.4789 64 S 4.2342 8.7696 110.3089 58.9802 65.4110 173.5036 65 E 4.9027 8.0283 117.2268 54.7301 32.0648 175.0677 66 V 4.5487 8.2275 119.9067 61.6233 35.5342 174.0301 67 I 4.5262 8.1812 124.9747 59.5890 40.4012 174.8622 68 F 4.5756 9.2899 127.1030 56.5724 38.5472 176.3549 69 R 4.3546 8.4085 122.9751 56.1460 30.2904 176.6367 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 T 8.17 4.39 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 1.23 0.00 0.00 2 P 0.00 4.78 0.00 2.14 1.96 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 3 D 8.95 4.14 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.50 4.67 0.00 2.87 3.08 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 0.00 0.00 0.00 0.00 5 V 6.96 4.37 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 0.54 0.00 0.00 0.88 0.00 0.00 6 T 7.54 4.17 4.19 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 1.17 0.00 0.00 7 G 7.93 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 8 K 8.71 4.76 0.00 1.74 1.75 0.00 1.80 0.00 0.00 2.30 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 9 V 8.00 3.83 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 0.74 0.00 0.00 0.92 0.00 0.00 10 E 8.60 4.23 0.00 1.89 1.83 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 0.00 2.52 2.33 0.00 11 Y 7.12 5.00 0.00 2.93 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 12 T 8.23 4.80 3.79 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 1.23 0.00 0.00 13 K 8.49 4.56 0.00 1.87 1.60 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.39 7.81 14 Y 8.55 4.84 0.00 3.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.65 0.00 2.84 2.68 0.00 0.00 6.26 7.39 0.00 0.00 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 D 8.46 4.52 0.00 2.64 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 17 D 7.86 4.79 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 18 D 7.69 3.99 0.00 3.05 2.82 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 0.00 0.00 0.00 19 T 7.43 4.33 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 1.26 0.00 0.00 20 F 8.77 5.40 0.00 3.05 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 21 T 8.87 5.38 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 1.34 0.00 0.00 22 V 8.85 4.54 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 0.51 0.00 0.00 0.82 0.00 0.00 23 K 8.02 4.41 0.00 1.13 0.74 0.00 1.28 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.61 0.90 7.81 24 V 7.67 4.44 1.89 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 0.85 0.00 0.00 0.73 0.00 0.00 25 G 9.11 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 0.00 0.00 0.00 26 D 9.01 4.80 0.00 2.73 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 27 K 7.40 4.53 0.00 1.46 1.69 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 28 E 8.36 4.69 0.00 2.29 1.80 0.00 0.00 0.00 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 2.27 0.00 29 L 8.46 5.32 0.00 1.41 1.73 0.73 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.70 5.83 0.00 3.41 3.24 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 31 T 9.45 4.76 2.69 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 0.00 0.00 0.00 1.17 0.00 0.00 32 N 8.65 4.98 0.00 2.90 3.00 0.00 0.00 6.11 7.66 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 33 R 7.74 4.24 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 34 W 8.84 4.62 0.00 3.45 3.24 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 35 N 8.27 4.52 0.00 2.80 2.89 0.00 0.00 7.18 6.74 0.00 0.00 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 L 8.07 4.41 0.00 1.80 1.92 0.99 1.03 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 37 Q 7.35 2.98 0.00 1.74 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 1.68 2.36 0.00 38 S 7.77 4.35 0.00 3.81 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 39 L 7.26 3.81 0.00 2.16 1.55 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.20 4.24 0.00 1.93 2.07 1.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.12 4.32 0.00 1.93 1.77 1.08 1.16 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 42 S 7.69 4.51 0.00 4.06 3.86 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 43 A 8.09 4.11 1.59 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 44 Q 8.91 3.96 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 45 I 7.32 3.95 1.91 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 1.62 0.85 0.94 0.00 0.00 46 T 7.35 4.51 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 1.25 0.00 0.00 47 G 7.63 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 0.00 0.00 0.00 48 M 8.14 4.51 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 49 T 7.93 4.75 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 1.23 0.00 0.00 50 V 8.97 4.58 1.65 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 0.82 0.00 0.00 0.74 0.00 0.00 51 T 8.38 4.91 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 1.25 0.00 0.00 52 I 8.19 4.61 1.61 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.36 0.44 0.00 0.00 53 K 8.23 5.43 0.00 1.61 1.73 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.15 7.81 54 T 8.30 4.62 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 1.18 0.00 0.00 55 N 8.75 4.75 0.00 2.72 2.81 0.00 0.00 6.67 7.35 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 56 A 7.79 4.77 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.01 4.90 0.00 2.91 3.06 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 58 H 7.48 5.15 0.00 3.34 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.74 4.34 0.00 2.77 2.87 0.00 0.00 6.99 7.65 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 60 G 9.45 4.06 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 0.00 61 G 7.61 3.92 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 0.00 0.00 0.00 62 G 8.30 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 63 F 8.99 5.10 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.23 0.00 3.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.90 0.00 2.09 2.04 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 2.28 2.29 0.00 66 V 8.23 4.55 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 0.00 0.00 1.16 0.00 0.00 67 I 8.18 4.53 1.82 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 1.24 0.50 0.93 0.00 0.00 68 F 9.29 4.58 0.00 2.86 3.07 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 69 R 8.41 4.35 0.00 1.72 1.82 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00