NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4939 8.1593 117.3237 62.6936 69.8338 173.4542 2 P 4.2976 0.0000 0.0000 61.9360 32.8280 173.9919 3 D 4.3550 8.8804 121.6191 55.8052 41.2523 177.4290 4 C 4.7816 8.9426 123.2509 57.8309 45.8129 174.1277 5 V 4.6034 7.1375 115.8376 60.8678 34.1718 172.3969 6 T 4.8737 8.8640 118.7808 61.2176 71.9445 174.1624 7 G 3.8328 7.9311 112.4735 45.9196 0.0000 171.9171 8 K 4.4974 8.1820 118.3347 55.6171 32.8712 177.0952 9 V 3.8280 8.0927 121.5853 62.7689 31.5294 175.4991 10 E 4.3428 8.8713 130.4103 59.2311 30.2970 175.8087 11 Y 4.9680 6.9939 114.8851 56.4768 41.0228 173.2234 12 T 5.0254 8.6319 109.5362 59.9939 72.6601 173.0965 13 K 4.5179 8.1045 122.8557 55.2862 35.9843 173.8911 14 Y 4.8176 8.7888 128.9893 56.7634 39.7916 174.5035 15 N 4.9007 8.2361 124.0107 51.3319 40.7314 175.6307 16 D 4.4279 8.5903 119.6084 57.1718 41.3661 176.6730 17 D 4.5978 7.9024 116.4687 52.9888 39.4795 176.3995 18 D 4.0691 8.1231 117.9001 55.2148 39.0467 173.8886 19 T 4.4706 7.5683 111.1906 60.7349 71.6056 173.2430 20 F 5.2570 8.9077 122.9006 56.9697 42.4301 173.3511 21 T 5.1738 8.8430 123.4060 62.3536 70.6250 174.3106 22 V 4.6738 9.1225 118.1549 59.3222 35.9026 174.5758 23 K 4.6058 8.1444 124.9241 54.6520 34.0919 175.0143 24 V 4.5328 8.0135 127.5150 60.8382 34.8206 174.8823 25 G 3.6862 8.8693 116.1157 47.3282 0.0000 173.6411 26 D 4.8446 8.8211 123.3739 52.3969 39.6522 175.4949 27 K 4.8317 7.9144 119.3771 55.0654 35.4621 174.8269 28 E 4.9060 9.2685 124.1251 55.0814 31.2211 175.2064 29 L 5.4327 8.9970 124.4378 52.7919 46.2921 175.6008 30 F 5.6299 9.0482 116.0396 55.4525 41.5339 173.8745 31 T 4.5336 9.1404 114.3976 60.1320 70.5388 173.8178 32 N 4.7557 8.6610 122.8032 52.6043 38.1851 174.9806 33 R 4.2679 7.6997 119.8741 55.1912 30.0678 177.1778 34 W 4.3119 8.9954 122.4888 59.7885 26.5422 177.8790 35 N 3.6543 7.0254 116.4368 55.4768 37.7909 176.6149 36 L 4.2177 7.7974 119.4561 56.3412 41.7445 179.2227 37 Q 3.1229 7.7798 119.3312 58.7588 28.6770 178.7327 38 S 4.1481 7.8038 114.6778 61.1122 63.2361 176.2445 39 L 3.8754 7.3042 120.7559 57.7130 41.3752 179.4895 40 L 4.3020 8.3630 119.2253 57.6146 41.4797 179.3248 41 L 4.1155 8.0991 120.4756 58.3155 42.1411 179.1417 42 S 4.1087 8.2494 114.8785 61.6210 62.7918 176.4783 43 A 4.0790 8.2359 123.4021 55.2324 17.5917 179.5734 44 Q 3.9394 8.1176 117.9223 59.4876 29.0165 178.3250 45 I 3.8024 7.9060 119.9998 64.1526 37.2909 177.6549 46 T 4.4136 7.8047 107.3074 60.9864 69.3435 174.7893 47 G 3.7981 7.7781 108.6156 46.8984 0.0000 173.9547 48 M 4.4273 7.9216 118.0993 55.1907 33.2197 176.2779 49 T 4.6547 8.1993 117.2961 62.6670 70.5154 174.6351 50 V 4.8326 8.6902 118.4601 59.7570 36.1095 174.7574 51 T 4.7835 8.6260 119.3488 61.9436 71.5760 173.0807 52 I 4.3434 8.4161 128.3405 59.9086 38.8828 174.9217 53 K 4.7667 8.2492 126.8154 54.2858 33.5369 175.7623 54 T 4.4351 8.0120 116.9828 61.3712 69.5568 173.2257 55 N 4.3864 9.0408 124.1023 55.7164 39.7276 176.0349 56 A 4.3887 8.0365 124.5685 50.9901 17.6675 177.3535 57 C 4.5228 7.5511 125.2960 53.6933 44.0832 171.1732 58 H 4.8170 7.1652 118.0053 53.7988 31.3447 173.5851 59 N 4.6362 8.6085 117.8913 54.9924 38.5709 175.8733 60 G 4.0659 9.2249 111.3253 45.4255 0.0000 173.7893 61 G 3.9476 7.5988 107.3190 45.3959 0.0000 173.5874 62 G 4.1843 8.2581 108.7160 45.2564 0.0000 172.7065 63 F 5.2301 7.5305 115.0288 55.3423 40.8652 174.3475 64 S 4.4539 8.8241 110.6788 57.2702 64.7326 173.3512 65 E 4.8072 8.2346 121.4859 54.6223 32.0595 175.0512 66 V 4.6640 8.3022 123.0468 61.1999 35.0918 174.0211 67 I 4.4192 8.8103 128.3579 59.6185 39.3937 174.4014 68 F 5.0215 8.9065 125.9010 56.1321 40.3632 176.1638 69 R 4.3357 8.9587 121.9522 56.3483 30.8483 175.3981 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 8.16 4.49 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 1.21 0.00 0.00 2 P 0.00 4.30 0.00 2.17 2.16 0.00 3.78 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 2.22 2.05 0.00 3 D 8.88 4.36 0.00 2.54 2.61 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 0.00 0.00 0.00 0.00 4 C 8.94 4.78 0.00 2.88 3.15 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 5 V 7.14 4.60 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 0.42 0.00 0.00 0.92 0.00 0.00 6 T 8.86 4.87 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 1.20 0.00 0.00 7 G 7.93 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.18 4.50 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.42 7.81 9 V 8.09 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 0.80 0.00 0.00 0.95 0.00 0.00 10 E 8.87 4.34 0.00 1.97 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 2.51 2.32 0.00 11 Y 6.99 4.97 0.00 3.06 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 12 T 8.63 5.03 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 1.36 0.00 0.00 13 K 8.10 4.52 0.00 1.89 1.60 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 14 Y 8.79 4.82 0.00 3.25 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 15 N 8.24 4.90 0.00 2.83 2.59 0.00 0.00 6.22 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 8.59 4.43 0.00 2.62 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 17 D 7.90 4.60 0.00 2.74 2.66 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 18 D 8.12 4.07 0.00 2.82 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.57 4.47 4.51 0.00 0.00 0.00 0.00 0.00 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 20 F 8.91 5.26 0.00 3.13 2.97 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 21 T 8.84 5.17 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 1.26 0.00 0.00 22 V 9.12 4.67 2.01 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 0.90 0.00 0.00 0.82 0.00 0.00 23 K 8.14 4.61 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.06 1.13 7.81 24 V 8.01 4.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.76 0.00 0.00 25 G 8.87 3.69 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 0.00 0.00 0.00 26 D 8.82 4.84 0.00 2.77 2.73 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 27 K 7.91 4.83 0.00 1.59 1.65 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.46 7.81 28 E 9.27 4.91 0.00 1.96 1.93 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 2.26 2.33 0.00 29 L 9.00 5.43 0.00 1.44 1.72 0.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.05 5.63 0.00 3.11 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 T 9.14 4.53 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 8.66 4.76 0.00 2.92 3.06 0.00 0.00 6.12 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 7.70 4.27 0.00 1.78 1.81 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 34 W 9.00 4.31 0.00 3.67 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 35 N 7.03 3.65 0.00 2.22 2.50 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 7.80 4.22 0.00 1.82 1.76 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.78 3.12 0.00 1.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 1.91 2.37 0.00 38 S 7.80 4.15 0.00 4.02 4.08 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 39 L 7.30 3.88 0.00 1.77 1.57 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.36 4.30 0.00 2.02 2.03 1.33 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.10 4.12 0.00 2.02 1.85 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.25 4.11 0.00 4.02 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 43 A 8.24 4.08 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 0.00 0.00 0.00 0.00 0.00 44 Q 8.12 3.94 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 45 I 7.91 3.80 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 0.77 0.93 0.00 0.00 46 T 7.80 4.41 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 1.22 0.00 0.00 47 G 7.78 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 0.00 0.00 0.00 48 M 7.92 4.43 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 49 T 8.20 4.65 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 1.18 0.00 0.00 50 V 8.69 4.83 1.75 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 0.64 0.00 0.00 0.86 0.00 0.00 51 T 8.63 4.78 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 1.13 0.00 0.00 52 I 8.42 4.34 1.53 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 0.88 0.48 0.17 0.00 0.00 53 K 8.25 4.77 0.00 1.59 1.69 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.13 7.81 54 T 8.01 4.44 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 1.16 0.00 0.00 55 N 9.04 4.39 0.00 2.75 2.87 0.00 0.00 6.89 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 8.04 4.39 1.26 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 0.00 0.00 0.00 57 C 7.55 4.52 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 4.82 0.00 3.37 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.61 4.64 0.00 2.78 2.86 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 9.22 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 0.00 0.00 0.00 0.00 61 G 7.60 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 0.00 0.00 0.00 62 G 8.26 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 0.00 0.00 0.00 0.00 63 F 7.53 5.23 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 64 S 8.82 4.45 0.00 3.88 3.84 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 65 E 8.23 4.81 0.00 2.10 1.86 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 2.29 2.27 0.00 66 V 8.30 4.66 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 -0.17 0.00 0.00 1.03 0.00 0.00 67 I 8.81 4.42 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.91 0.00 0.00 68 F 8.91 5.02 0.00 2.88 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 69 R 8.96 4.34 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00